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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

High-performance parallel analysis of coupled problems for aircraft propulsion

Applications are described of high-performance parallel, computation for the analysis of complete jet engines, considering its multi-discipline coupled problem. The coupled problem involves interaction of structures with gas dynamics, heat conduction and heat transfer in aircraft engines. The methodology issues addressed include: consistent discrete formulation of coupled problems with emphasis on coupling phenomena; effect of partitioning strategies, augmentation and temporal solution procedures; sensitivity of response to problem parameters; and methods for interfacing multiscale discretizations in different single fields. The computer implementation issues addressed include: parallel treatment of coupled systems; domain decomposition and mesh partitioning strategies; data representation in object-oriented form and mapping to hardware driven representation, and tradeoff studies between partitioning schemes and fully coupled treatment.

Felippa, C. A.↗

Weibull-Based Stochastic Simulation of Mud-Crack Damage Formation in an Environmental Barrier Coating

The integrated Finite Element Analysis Micromechanics Analysis Code/Ceramics Analysis and Reliability Evaluation of Structures (FEAMAC/CARES) program was used to simulate the formation of mudflat-cracks from thermomechanical loading on a multi-layered Environmental Barrier Coating (EBC) system deposited on a ceramic substrate. FEAMAC/CARES combines MAC/GMC (Micromechanics Analysis Code/Generalized Method of Cells) multiscale composite micromechanics code with CARES/Life probabilistic multiaxial failure criteria code and Abaqusfinite element analysis. In this work, step function elastic modulus reduction of randomly damaged finite elements was used to represent discrete cracking events. The use of many small-sized low-aspect-ratio finite elements enabled the depiction of crack boundaries and formation of mudflat patterned damage. Demonstrated examples include finite element models of button-sized disk-shaped 3-D specimen, and a 2-D model of through-the-thickness cross-section. All models were subjected to a progressive cool down from 1300 degrees Centigrade to room temperature. Mudflat crack damage in the coating system resulted from the buildup of residual tensile stresses between the individual material constituents from thermal expansion mismatch. A 2-parameter Weibull distribution characterized the coating layer stochastic strength response and the effect of the Weibull modulus on the formation of damage was studied here.

Residual Tensile Stress↗

Machine Learning Approaches for Rare-Earth Silicate Environmental Barrier Coating Thermochemical and Thermomechanical Property Predictions

Environmental barrier coatings (EBCs) are a necessary enabling technology for the transition from superalloys to silicon carbide (SiC) ceramic matrix composites (CMCs) in gas turbine engines for increased efficiency and decreased fuel costs. SiC-based CMCs are prone to oxidation-based degradation in the engine hot section, and rare-earth (RE) silicates are promising candidates for EBCs due to their close thermal expansion match to the composite substrate and oxidation resistance. However, the design of EBCs is hindered by the large chemical space of candidate materials and the difficulty in obtaining material properties for engineering optimization. This is especially difficult as research continues into mixed-cation or “high-entropy” RE silicates. First-principles computational methods such as density functional theory (DFT) are highly effective at calculating material properties to guide coating design but are limited by their computational cost. Atomistic simulations have the potential to both accelerate property calculations and expand the properties able to be calculated due to their lower computational compared to DFT. However, they require interatomic potentials (IAPs) specific to the material system of interest, and, to our knowledge, there are no suitable IAPs for RE silicates. Machine learning (ML) is a promising technique to accelerate material property predictions indirectly by generating IAPs for atomistic simulations or via direct prediction. In this work, we present two ML approaches to accelerate the calculation of RE silicate properties relevant to EBC design: 1) a ML-derived interatomic potential (IAP) for atomistic simulations of yttrium disilicate (Y2Si2O7) from DFT training data, and 2) a neural network (NN) model to directly predict thermochemical properties of RE silicates and oxides directly from easily obtainable unit cell parameters. Classical MD simulations using the IAP yield lattice properties and bond lengths in good agreement with both DFT and experimental results from x-ray diffraction. Thermodynamic properties calculated using the finite-displacement phonon method and quasi-harmonic approximation were orders of magnitude faster than DFT with good agreement to the DFT results. The IAP was also used to calculate properties such as coefficient of thermal expansion (CTE) that require large simulation supercells and are therefore difficult with DFT. The IAP correctly predicted the anisotropic nature of the CTE in three different phases of Y2Si2O7. The NN model predicts constant pressure heat capacity, Cp, orders of magnitude faster than DFT calculations, which can enable its use as a surrogate model for multiscale simulations. The two methods presented in this work demonstrate the utility of ML for accelerating the prediction of RE silicate properties, which can in turn accelerate EBC design and optimization.

machine learning↗

Progressive Failure Analysis of 3D Woven Composites via Multiscale Recursive Micromechanics

Multiscale progressive failure simulations have been performed for a 3D woven composite considering six length scales, spanning from the woven composite repeating unit cell to the matrix material containing voids. The Multiscale Recursive Micromechanics approach, which enables micromechanics models to call other micromechanics models (or themselves recursively) to consider finer and finer length scales, has been employed. The multiscale model uses both the generalized method of cells and Mori-Tanaka micromechanics theories and considers failure and damage at the lowest length scale. A simple subvolume elimination damage model, as well as the crack band model, are employed for the matrix and their predicted composite responses compared with and without a preexisting binder tow disbond. Results are also compared with experimental data for an AS4 carbon fiber/RTM6 epoxy matrix 3D orthogonal woven PMC, with good agreement in terms of global stiffness and global failure stress.

3D woven↗

Multiscale Modeling of Thermoplastics Using Atomistic-informed Micromechanics

A multiscale model was developed for predicting the thermoelastic behavior of semi-crystalline thermoplastic materials for composite aerospace applications. At the highest scale containing the semi-crystalline spherulite in an amorphous matrix, the generalized method of cells, or high fidelity method of cells, was used to perform the homogenization calculations to obtain the effective properties. Models were developed assuming a cubic, or spherical shape, for the spherulite to understand if the morphology of the spherulite affects the effective thermoelastic properties. The generalized method of cells was used to model at the repeating unit cells at the subscales of the microstructure including the lamellae stacks and granular crystal blocks. The scales are integrated using the multiscale micromechanics method in the NASA Multiscale Analysis Tool. Data from molecular dynamics simulations were used as inputs for the amorphous and crystalline constituents. Convergence studies were performed to determine the best level of discretization for the repeating unit cell at the highest scale. Effective Young’s modulus, shear modulus, Poisson’s ratio, coefficient of thermal expansion, and thermal conductivity were predicted for polyether ether ketone and polyether ketone ketone, and very good agreement between the model utilizing the cubic spherulite and the experimental data, where available, was observed for polyether ketone ketone. Normalization of the data for the bulk polyether ketone ketone, against amorphous data, improved the predictions as compared to experimental data. Overall, the high fidelity method of cells predicted a stiffer response then the generalized method of cells as the crystallinity was increased. The shape of the spherulite had a minimal effect on the predicted bulk properties of the polymers.

thermoplastics↗

Microscale Constitutive Model Sensitivity on Multiscale Modeling of Fiber Reinforced Composites

Fiber reinforced composites are desirable in applications where low weight and high strength are needed, but are susceptible to microscale variability during manufacturing, making failure predictions difficult. The impact microscale variability has on macroscale mechanical response is difficult to predict due to the computational efficiency needed to simulate many, large, high fidelity, microscale models. In this study, a multiscale approach was taken to model 3-point bend, 4-point bend, and tensile experiments of a unidirectional composite from only having microstructure scans of these samples and constituent properties from literature. These scans were sampled with different sized windows, and statistically equivalent microstructures were generated, then simulated for stiffness, strength, and fracture toughness using an efficient micromechanical. Mesoscale models were created where element sizes equaled microstructure size, and properties were assigned through sampling of microscale simulation results. First, this study showed the effect of using Weibull scaling on constituent matrix strength on macroscale response. Then, a comparison was made between different element sizes and experiments. Finally, model dimensions were fixed, and the effect of randomly distributed local properties alone was examined. Results showed that the scatter of strength and stiffness in the experiments could be predicted well using images of the microscale fiber morphologies and that using stochastic properties produced a 3% coefficient of variation of strength for all experiments.

statistical microstructure↗

New Developments in the Embedded Statistical Coupling Method: Atomistic/Continuum Crack Propagation

A concurrent multiscale modeling methodology that embeds a molecular dynamics (MD) region within a finite element (FEM) domain has been enhanced. The concurrent MD-FEM coupling methodology uses statistical averaging of the deformation of the atomistic MD domain to provide interface displacement boundary conditions to the surrounding continuum FEM region, which, in turn, generates interface reaction forces that are applied as piecewise constant traction boundary conditions to the MD domain. The enhancement is based on the addition of molecular dynamics-based cohesive zone model (CZM) elements near the MD-FEM interface. The CZM elements are a continuum interpretation of the traction-displacement relationships taken from MD simulations using Cohesive Zone Volume Elements (CZVE). The addition of CZM elements to the concurrent MD-FEM analysis provides a consistent set of atomistically-based cohesive properties within the finite element region near the growing crack. Another set of CZVEs are then used to extract revised CZM relationships from the enhanced embedded statistical coupling method (ESCM) simulation of an edge crack under uniaxial loading.

Saether, E.↗

On Efficient Multigrid Methods for Materials Processing Flows with Small Particles

Multiscale modeling of materials requires simulations of multiple levels of structural hierarchy. The computational efficiency of numerical methods becomes a critical factor for simulating large physical systems with highly desperate length scales. Multigrid methods are known for their superior efficiency in representing/resolving different levels of physical details. The efficiency is achieved by employing interactively different discretizations on different scales (grids). To assist optimization of manufacturing conditions for materials processing with numerous particles (e.g., dispersion of particles, controlling flow viscosity and clusters), a new multigrid algorithm has been developed for a case of multiscale modeling of flows with small particles that have various length scales. The optimal efficiency of the algorithm is crucial for accurate predictions of the effect of processing conditions (e.g., pressure and velocity gradients) on the local flow fields that control the formation of various microstructures or clusters.

Thomas, James↗

On Multiscale Modeling: Preserving Energy Dissipation Across the Scales with Consistent Handshaking Methods

A mesh objective crack band model was implemented within the generalized method of cells micromechanics theory. This model was linked to a macroscale finite element model to predict post-peak strain softening in composite materials. Although a mesh objective theory was implemented at the microscale, it does not preclude pathological mesh dependence at the macroscale. To ensure mesh objectivity at both scales, the energy density and the energy release rate must be preserved identically across the two scales. This requires a consistent characteristic length or localization limiter. The effects of scaling (or not scaling) the dimensions of the microscale repeating unit cell (RUC), according to the macroscale element size, in a multiscale analysis was investigated using two examples. Additionally, the ramifications of the macroscale element shape, compared to the RUC, was studied.

Pineda, Evan J.↗

Multiscale Static Analysis of Notched and Unnotched Laminates Using the Generalized Method of Cells

The generalized method of cells (GMC) is demonstrated to be a viable micromechanics tool for predicting the deformation and failure response of laminated composites, with and without notches, subjected to tensile and compressive static loading. Given the axial [0], transverse [90], and shear [+45/-45] response of a carbon/epoxy (IM7/977-3) system, the unnotched and notched behavior of three multidirectional layups (Layup 1: [0,45,90,-45](sub 2S), Layup 2: [0,60,0](sub 3S), and Layup 3: [30,60,90,-30, -60](sub 2S)) are predicted under both tensile and compressive static loading. Matrix nonlinearity is modeled in two ways. The first assumes all nonlinearity is due to anisotropic progressive damage of the matrix only, which is modeled, using the multiaxial mixed-mode continuum damage model (MMCDM) within GMC. The second utilizes matrix plasticity coupled with brittle final failure based on the maximum principle strain criteria to account for matrix nonlinearity and failure within the Finite Element Analysis--Micromechanics Analysis Code (FEAMAC) software multiscale framework. Both MMCDM and plasticity models incorporate brittle strain- and stress-based failure criteria for the fiber. Upon satisfaction of these criteria, the fiber properties are immediately reduced to a nominal value. The constitutive response for each constituent (fiber and matrix) is characterized using a combination of vendor data and the axial, transverse, and shear responses of unnotched laminates. Then, the capability of the multiscale methodology is assessed by performing blind predictions of the mentioned notched and unnotched composite laminates response under tensile and compressive loading. Tabulated data along with the detailed results (i.e., stress-strain curves as well as damage evolution states at various ratios of strain to failure) for all laminates are presented.

GMC↗

Application of the NASA Multiscale Analysis Tool: Multiscale Integration and Interoperability

In order to demonstrate NASMAT’s multiscale operability, a series of illustrative examples will be presented that focus on the application of NASMAT to practical problems. First, the multiscale integration and data recursion is demonstrated by performing a multiscale analysis using only built-in micromechanics methods. NASMAT’s integration is then highlighted by running a multiscale analysis where an external finite element software calls NASMAT. In this case, at each integration point within the finite element model, a local NASMAT analysis is performed to account for failure behavior at the constituent scale. In a similar example, an external program is called from within NASMAT. This case would be relevant for a user wanting to implement an outside micromechanics technique. A combination of these examples is then presented to further illustrate the code’s flexibility when interfacing with outside codes in a multiscale framework. For all examples, data is presented using a custom-developed visualization tool. Additional potential use cases are also addressed. Finally, the plan for upcoming features and added capabilities is discussed.

NASMAT↗

Merging for Particle-Mesh Complex Particle Kinetic Modeling of the Multiple Plasma Beams

We suggest a merging procedure for the Particle-Mesh Complex Particle Kinetic (PMCPK) method in case of inter-penetrating flow (multiple plasma beams). We examine the standard particle-in-cell (PIC) and the PMCPK methods in the case of particle acceleration by shock surfing for a wide range of the control numerical parameters. The plasma dynamics is described by a hybrid (particle-ion-fluid-electron) model. Note that one may need a mesh if modeling with the computation of an electromagnetic field. Our calculations use specified, time-independent electromagnetic fields for the shock, rather than self-consistently generated fields. While a particle-mesh method is a well-verified approach, the CPK method seems to be a good approach for multiscale modeling that includes multiple regions with various particle/fluid plasma behavior. However, the CPK method is still in need of a verification for studying the basic plasma phenomena: particle heating and acceleration by collisionless shocks, magnetic field reconnection, beam dynamics, etc.

Lipatov, Alexander S.↗

Multiscale Failure Analysis of Laminated Composite Panels Subjected to Blast Loading Using FEAMAC/Explicit

This preliminary report demonstrates the capabilities of the recently developed software implementation that links the Generalized Method of Cells to explicit finite element analysis by extending a previous development which tied the generalized method of cells to implicit finite elements. The multiscale framework, which uses explicit finite elements at the global-scale and the generalized method of cells at the microscale is detailed. This implementation is suitable for both dynamic mechanics problems and static problems exhibiting drastic and sudden changes in material properties, which often encounter convergence issues with commercial implicit solvers. Progressive failure analysis of stiffened and un-stiffened fiber-reinforced laminates subjected to normal blast pressure loads was performed and is used to demonstrate the capabilities of this framework. The focus of this report is to document the development of the software implementation; thus, no comparison between the results of the models and experimental data is drawn. However, the validity of the results are assessed qualitatively through the observation of failure paths, stress contours, and the distribution of system energies.

Pineda, Evan J.↗

Modeling of Melt-Infiltrated SiC/SiC Composite Properties

The elastic properties of a two-dimensional five-harness melt-infiltrated silicon carbide fiber reinforced silicon carbide matrix (MI SiC/SiC) ceramic matrix composite (CMC) were predicted using several methods. Methods used in this analysis are multiscale laminate analysis, micromechanics-based woven composite analysis, a hybrid woven composite analysis, and two- and three-dimensional finite element analyses. The elastic properties predicted are in good agreement with each other as well as with the available measured data. However, the various methods differ from each other in three key areas: (1) the fidelity provided, (2) the efforts required for input data preparation, and (3) the computational resources required. Results also indicate that efficient methods are also able to provide a reasonable estimate of local stress fields.

Mital, Subodh K.↗

Multiscale Failure Analysis of a 3D Woven Unit Cell Containing Defects

Multiscale failure simulations have been performed for a Three-dimensional woven composite unit cell considering five, or more, length scales spanning the woven composite mesoscale to the sub-microscale voids. The multiscale recursive micromechanics approach, which enables recursive integration of general micromechanics theories over an arbitrary number of length scales, has been employed within the NASA Multiscale Analysis Tool. The multiscale model uses both the generalized method of cells and Mori-Tanaka micromechanics theories, and considers failure in the constituent materials using a simple damage model. Baseline results, containing distributed voids, are compared to uniaxial experimental data for an AS4 carbon fiber/ RTM6 epoxy matrix 3D orthogonal woven composite with good agreement in terms of global stiffness and global failure stress. The simulations demonstrate that the 3D woven composite exhibits damage tolerance through sustaining increasing axial load far beyond the first initiation of damage. The multiscale model is used to examine the nonlinear response of the material to other loading conditions. Case studies, motivated by X-ray computed tomography data, are presented on the effects of manufacturing induced voids and cracks.

3D woven↗

Tracking of Ice Edges and Ice Floes by Wavelet Analysis of SAR Images

This paper demonstrates the use of wavelet transforms in the tracking of sequential ice features in the ERS-1 synthetic aperture radar (SAR) imagery, especially in situations where feature correlation techniques fail to yield reasonable results. Examples include the evolution of the St. Lawrence polynya and summer sea ice change in the Beaufort Sea. For the polynya, the evolution of the region of young ice growth surrounding a polynya can be easily tracked by wavelet analysis due to the large backscatter difference between the young and old ice. Also within the polynya, a 2D fast Fourier transform (FFT) is used to identify the extent of the Langmuir circulation region, which is coincident with the wave-agitated frazil ice growth region, where the sea ice experiences its fastest growth. Therefore, the combination of wavelet and FFT analysis of SAR images provides for the large-scale monitoring of different polynya features. For summer ice, previous work shows that this is the most difficult period for ice trackers due to the lack of features on the sea ice cover. The multiscale wavelet analysis shows that this method delineates the detailed floe shapes during this period, so that between consecutive images, the floe translation and rotation can be estimated.

Liu, Antony K.↗

An Overview of Prognosis Health Management Research at Glenn Research Center for Gas Turbine Engine Structures With Special Emphasis on Deformation and Damage Modeling

Herein a general, multimechanism, physics-based viscoelastoplastic model is presented in the context of an integrated diagnosis and prognosis methodology which is proposed for structural health monitoring, with particular applicability to gas turbine engine structures. In this methodology, diagnostics and prognostics will be linked through state awareness variable(s). Key technologies which comprise the proposed integrated approach include (1) diagnostic/detection methodology, (2) prognosis/lifing methodology, (3) diagnostic/prognosis linkage, (4) experimental validation, and (5) material data information management system. A specific prognosis lifing methodology, experimental characterization and validation and data information management are the focal point of current activities being pursued within this integrated approach. The prognostic lifing methodology is based on an advanced multimechanism viscoelastoplastic model which accounts for both stiffness and/or strength reduction damage variables. Methods to characterize both the reversible and irreversible portions of the model are discussed. Once the multiscale model is validated the intent is to link it to appropriate diagnostic methods to provide a full-featured structural health monitoring system.

Arnold, Steven M.↗

An Overview of Prognosis Health Management Research at GRC for Gas Turbine Engine Structures With Special Emphasis on Deformation and Damage Modeling

Herein a general, multimechanism, physics-based viscoelastoplastic model is presented in the context of an integrated diagnosis and prognosis methodology which is proposed for structural health monitoring, with particular applicability to gas turbine engine structures. In this methodology, diagnostics and prognostics will be linked through state awareness variable(s). Key technologies which comprise the proposed integrated approach include 1) diagnostic/detection methodology, 2) prognosis/lifing methodology, 3) diagnostic/prognosis linkage, 4) experimental validation and 5) material data information management system. A specific prognosis lifing methodology, experimental characterization and validation and data information management are the focal point of current activities being pursued within this integrated approach. The prognostic lifing methodology is based on an advanced multi-mechanism viscoelastoplastic model which accounts for both stiffness and/or strength reduction damage variables. Methods to characterize both the reversible and irreversible portions of the model are discussed. Once the multiscale model is validated the intent is to link it to appropriate diagnostic methods to provide a full-featured structural health monitoring system.

Arnold, Steven M.↗