Search NASA⌕ Search

SEARCH · Search NASA

Results for “microstructure scale modeling”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

A Convolutional Neural Network for Enhancement of Multi-Scale Localization in Granular Metallic Representative Unit Cells

A convolutional neural network was used to enhance the localization of strain and stress for a generalized method of cells model of a metallic microstructure. Enhanced shear strains, measured in terms of the linear regression coefficients as a function of ground truth strains, were improved from inaccurate and uncorrelated (slope=0.003, Rsq=0.000) to accurate and well correlated (slope=0.890, Rsq=0.882) relative to ground truth (slope=1.0, Rsq=1.0). In applying the convolutional neural network, a convolutional stride of 1.0 (padding=’same’) was only modestly effective while strides of 2 or 3 were more effective yet at higher cost. Additional convolutional layers were generally more expensive than additional dense layers, often with limited benefit. The accuracy of enhanced localized shear strains and stress is expected to yield benefits for damage progression models, especially in the context of hierarchical multi-scale methods where the generalized method of cells is applied at the intermediate scale.

Machine Learning↗
NASA NTRSDate not supplied

The Additive Manufacturing Moment Measure - A Parallel Computation Technique for Determining Build Variance in the Laser Powder Bed Fusion Process

Additive manufacturing (AM) has unique process attributes that facilitate the creation of optimized, complex, and unique parts for aerospace applications. However, the multi-scale and complicated building process for AM parts can cause unexpected build conditions that result in microstructural variability within the deposited material. The need for richer datasets and computational modeling capabilities to improve AM process reliability is a consequence of this microstructural variability. A computational approach, referred to as the Additive Manufacturing Moment Measure (AM3), addresses this need by leveraging the way AM processes fuse material in precise, incremental steps. During the layering sequence, each previous step contributes to the condition of the current step at the center of the heat source. The precise steps can be selected to systematically create a time-space point field with co-located machine input and in-situ sensor data. The sequential nature of the AM process, coupled with nearest neighbor calculations, allows for a fully parallel computation for part-scale build profile analysis. The AM3 concept introduced here enables part-scale assessment directly from build files and in-situ process monitoring sensors alike. The AM moment measures were calculated for build point fields and compared with co-located in-situ and ex-situ nondestructive evaluation and optical microscopy observations. These comparisons permit a better understanding of how the sequential process actions can affect the quality of a laser powder bed fusion (LPBF) build. Details of the AM3technique will be discussed and compared to measured LPBF part characteristics. The AM3 results indicate a strong potential to advance the qualification process for aerospace applications.

Additive Manufacturing↗
NASA NTRS1999

Adaptive-Grid Methods for Phase Field Models of Microstructure Development

In this work the authors show how the phase field model can be solved in a computationally efficient manner that opens a new large-scale simulational window on solidification physics. Our method uses a finite element, adaptive-grid formulation, and exploits the fact that the phase and temperature fields vary significantly only near the interface. We illustrate how our method allows efficient simulation of phase-field models in very large systems, and verify the predictions of solvability theory at intermediate undercooling. We then present new results at low undercoolings that suggest that solvability theory may not give the correct tip speed in that regime. We model solidification using the phase-field model used by Karma and Rappel.

Provatas, Nikolas↗
NASA NTRSDate not supplied

Parallelized Carbon Oxidation and Surface Recession Model in Direct-Simulation Monte Carlo Code, SPARTA

Ablative thermal protection system (TPS) materials for spacecraft are composites that often consist of a carbon-based reinforcement and a polymeric matrix. During Earth re-entry, they endure high-temperature oxidation and surface recession. Oxidation is an important mechanism for ablation, sometimes leading to the weakening, spallation, or failure of the oxidized fibers at the surface and in the char layer. However, more details are required including accurate material properties of the fiber microstructure, whether the fibers recede homogenously or localized at pits, and the role of pyrolysis outgassing in order to evaluate the role oxidation plays in the degradation and failure mechanisms of these materials. In this work, we demonstrate a parallelizable oxidation-driven ablation model developed for detailed, large-scale simulations in the DSMC code SPARTA. We also develop robust algorithms which handle the conservation of the surface state after an ablation step. Finally, we verify our model for both simple and more complex chemistry as well as microstructures with reaction statistics, oxidation depth calculations, and detailed visualization of oxidation-induced material recession at the microscale.

V Arias↗
NASA NTRS1983

Diffusion processes in Al2O3 scales - Void growth, grain growth, and scale growth

The internal microstructure and growth kinetics of Al2O3 scales on Ni-15Cr-13Al (wt percent) are investigated by TEM and analyzed in relation to models of diffusivity. Polished arc-melted specimens were oxidized in 1-atm air at 1100 C for 0.1, 1.0, and 20 hours and ion-thinned for TEM at 100 kV. The frequency distribution of void size and grain size is determined for different oxidation times and scale depths. The kinetics of microvoid growth and of grain and scale growth are plotted and related via simplified models to lattice and grain-boundary oxygen diffusivity, respectively. Good agreement is found between model predictions and data obtained by Oishi and Kingery (1960) on oxygen diffusion in bulk Al2O3. The further implications and limitations of these findings are discssed.

Smialek, J. L.↗
NASA NTRS1990

Oxidation characteristics of Ti-14Al-21Nb ingot alloy

Static oxidation kinetics of Ti14Al21Nb (wt pct) ingot alloy were studied in air over the temperature interval of 649 to 1093 C in a thermogravimetric apparatus. The oxidation products were characterized by x ray diffraction, electron microprobe analysis, energy dispersive x ray analysis, and Auger electron spectroscopy. Cross-sections of the oxidized samples were also examined using light and scanning electron microscopy. The oxidation rate was substantially lower than the conventional alloys of titanium, but the kinetics displayed a complex behavior involving two or more oxidation rates depending on the temperature and duration of exposure. The primary oxide formed was TiO2, but this oxide was doped with Nb. Small amounts of Al2O3 and TiN were also present in the scale. Diffusion of oxygen into the alloy was observed and the diffusivity seemed to be dependent on the microstructure of the metal. A model was presented to explain the oxidation behavior of the alloy in terms of the reduction in the oxygen diffusivity in the oxide caused by the modification of the defect structure of TiO2 by Nb ions.

Sankaran, Sankara N.↗
NASA NTRS1995

Neptune inbound bow shock

Voyager 2 crossed the inbound or upstream Neptunian bow shock at 1430 spacecraft event time on August 24 in 1989 (Belcher et al., 1989). The plasma and magnetic field measurements allow us to study the solar wind interaction with the outermost gas giant. To fully utilize all of the spacecraft observations, an improved nonlinear least squares, 'Rankine-Hugoniot' magnetohydrodynamic shock-fitting technique has been developed (Szabo, 1994). This technique is applied to the Neptunian data set. We find that the upstream bow shock normal points nearly exactly toward the Sun consistent with any reasonable large-scale model of the bow shock for a near subsolar crossing. The shock was moving outward with a speed of 14 +/- 12 km/s. The shock can be characterized as a low beta, high Mach number, strong quasi-perpendicular shock. Finally, the shock microstructure features are resolved and found to scale well with theoretical expectations.

Szabo, Adam↗
NASA NTRS2015

Multiscale Modeling of Ceramic Matrix Composites

Results of multiscale modeling simulations of the nonlinear response of SiC/SiC ceramic matrix composites are reported, wherein the microstructure of the ceramic matrix is captured. This micro scale architecture, which contains free Si material as well as the SiC ceramic, is responsible for residual stresses that play an important role in the subsequent thermo-mechanical behavior of the SiC/SiC composite. Using the novel Multiscale Generalized Method of Cells recursive micromechanics theory, the microstructure of the matrix, as well as the microstructure of the composite (fiber and matrix) can be captured.

ceramic matrix composites↗
NASA NTRS2019

Pot-ability Assessment of Litz Wires for High Power Density Electric Motor

An alternative process technique, namely vacuum-assisted axial injection potting (VaAIP), has been developed to pot the Litz wires in the stator winding of high power density electric motors for the future electrified aircrafts. Initial trials of the process showed significant improvement in potting quality with less voids, thus potential improvement in thermal management of the motors. As an initial effort of pot-ability assessment, microstructures, 2-D and 3-D, of the Litz wires including dimensions and distribution of conductor filament, coating, and open spaces; packing patterns; shape/configuration changes of each bundles or the overall cross-sections per degree of twist were determined and quantified successfully. The microstructure analyses were performed not only for effective potting process development but also for more realistic electro-thermal modeling solutions. This paper will present results of the microstructure analyses, potentials of the VaAIP process from the trials, and future plans for scale-up and implementation of the process into a full-scale prototype stator winding.

Electrified aircraft↗
NASA NTRS1995

3D thin film microstructures for space microrobots

Micromechanisms of locomotion and a manipulator with an external skeleton like the structure of an insect are proposed. Several micro-sized models were built on silicon wafers by using polysilicon for rigid plates and polyimide for elastic joints. Due to scale effects, friction in micromechanical components is dominant as compared to the inertial forces because friction is proportional to L(exp 2) while mass is proportional to L(exp 3). Therefore, to ensure efficient motion, rotational joint that exhibits rubbing should be avoided. In this paper, paper models of a robot leg and a micro-manipulator are presented to show structures with external skeletons and elastic joints. Then the large scale implementation using plastic plates, springs, and solenoids is demonstrated. Since the assembly technique is based on paper folding, it is compatible with thin film micro-fabrication and integrated circuit (IC) planar processes. Finally, several micromechanisms were fabricated on silicon wafers to demonstrate the feasibility of building a 3D microstructure from a single planar structure that can be used for space microrobots.

Shimoyama, Isao↗
NASA NTRS2024

Filament Wound Composite Analysis Using the NASA Multiscale Analysis Tool (NASMAT) and Finite Element Analysis

Fiber reinforced composite materials, owing to their tailorable thermomechanical and functional properties, allow one to produce a structure that is stronger, stiffer, and lighter than its metal counterpart while performing the same function, yielding a more efficient structure. This not only allows for the improvement of current technologies like aircraft structures, but also enables new technologies like gaseous hydrogen storage for mobility applications, which are otherwise impractical when manufactured using traditional metals due to weight and space restrictions or material embrittlement. However, the use of composites imposes greater design and manufacturing challenges on an engineer, since they are heterogenous, having a distinct structure across multiple length scale, behave generally anisotropically at the structural level and require complex manufacturing and processing methods. Capturing this complex behavior requires detailed numerical simulations, including the modeling of microstructural features like undulations, voids, and fiber alignment. In this paper, multiple repeating unit cells (RUCs), representing filament wound composites, are developed (via a script provided in the Appendix) and analyzed. The refinement of these RUCs is varied, and the analyses are performed using both the Abaqus finite element software and the NASA Multiscale Analysis Tool (NASMAT). A study is undertaken to compare the predicted effective elastic properties of the wound RUC to a laminate representation of the wound RUC, which neglects the undulations. Additionally, two different sets of periodic boundary conditions (PBCs) have been examined. One approximates the real boundary conditions using a standard approach and the other represents the PBCs exactly through the use of an offset. Lastly, a comparison of the local elastic stress fields is made among the models and approaches. Since wound structures are often approximated as laminated structures, it is important to understand the degree to which this assumption is valid, namely by first comparing the elastic constants and local elastic fields. This will provide, on the one hand, information concerning the bulk mechanical behavior and, on the other hand, insights concerning local load distributions and likely damage initiation sites.

Composites↗
NASA NTRS2004

Stress Distribution During Deformation of Polycrystalline Aluminum by Molecular-Dynamics and Finite-Element Modeling

In this paper, a multiscale modelling strategy is used to study the effect of grain-boundary sliding on stress localization in a polycrystalline microstructure with an uneven distribution of grain size. The development of the molecular dynamics (MD) analysis used to interrogate idealized grain microstructures with various types of grain boundaries and the multiscale modelling strategies for modelling large systems of grains is discussed. Both molecular-dynamics and finite-element (FE) simulations for idealized polycrystalline models of identical geometry are presented with the purpose of demonstrating the effectiveness of the adapted finite-element method using cohesive zone models to reproduce grain-boundary sliding and its effect on the stress distribution in a polycrystalline metal. The yield properties of the grain-boundary interface, used in the FE simulations, are extracted from a MD simulation on a bicrystal. The models allow for the study of the load transfer between adjacent grains of very different size through grain-boundary sliding during deformation. A large-scale FE simulation of 100 grains of a typical microstructure is then presented to reveal that the stress distribution due to grain-boundary sliding during uniform tensile strain can lead to stress localization of two to three times the background stress, thus suggesting a significant effect on the failure properties of the metal.

Yamakov, V.↗
NASA NTRS2012

Multiscale Modeling of Grain Boundaries in ZrB2: Structure, Energetics, and Thermal Resistance

A combination of ab initio, atomistic and finite element methods (FEM) were used to investigate the structures, energetics and lattice thermal conductance of grain boundaries for the ultra high temperature ceramic ZrB2. Atomic models of idealized boundaries were relaxed using density functional theory. Information about bonding across the interfaces was determined from the electron localization function. The Kapitza conductance of larger scale versions of the boundary models were computed using non-equilibrium molecular dynamics. The interfacial thermal parameters together with single crystal thermal conductivities were used as parameters in microstructural computations. FEM meshes were constructed on top of microstructural images. From these computations, the effective thermal conductivity of the polycrystalline structure was determined.

Lawson, John W.↗
NASA NTRSDate not supplied

Thermal Conductivity of 3D Woven Composite Thermal Protection System Materials via Multiscale Recursive Micromechanics

Multiscale micromechanics predictions have been made for the effective thermal conductivities and local thermal fields for a novel 3D woven composite thermal protection system material. 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 a recently developed version of the High-Fidelity Generalized Method of Cells micromechanics theory at each of three length scales. Results focus on the impact of the microstructural geometry representation at each length scale on the material’s effective thermal conductivity, along with the local thermal flux and temperature fields induced in the microstructures.

Composites↗
NASA NTRSDate not supplied

An Integrated Recursive Framework for Arbitrarily Multiscale and Multi-fidelity Modeling

The NASA Multiscale Analysis Tool (NAMSAT) serves as a state-of-the-art, “plug and play,” massively multiscale modeling (M3) platform for hierarchical materials and structures. The development of NASMAT has focused on modularity, upgradability and maintainability, interoperability, and utility. Application Program Interfaces (APIs) have been developed to facilitate the integration NASMAT into other programs (commercial, research, and user-defined) as well as the integration of other codes into NASMAT. NASMAT is an integrated, recursive platform that seamlessly allows for an arbitrary number of scales, and a variety of modeling fidelity, in a single, non-linear analysis. Thus, the macroscopic response of a material can be directly linked to the behavior of the microstructure(s), including subscale defects, making it a suitable tool for integrated computational materials engineering (ICME) because . Examples using NASMAT for simulation of polycrystalline metals at elevated temperatures will be presented.

Multiscale Modeling↗
NASA NTRS2021

Thermal Conductivity of 3D Woven Composite Thermal Protection System Materials via Multiscale Recursive Micromechanics

Multiscale micromechanics predictions have been made for the effective thermal conductivities and local thermal fields for a novel 3D woven composite thermal protection system material. 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 a recently developed version of the High-Fidelity Generalized Method of Cells micromechanics theory at each of three length scales. Results focus on the impact of the microstructural geometry representation at each length scale on the material’s effective thermal conductivity, along with the local thermal flux and temperature fields induced in the microstructures.

composite↗
NASA NTRSDate not supplied

Multiscale Modeling of Woven Ablative Thermal Protection System Materials

The NASA Entry Systems Modeling project maintains a portfolio of computational model and tool development activities focused on reducing performance uncertainties in ablative Thermal Protection System (TPS) materials for NASA missions. The development activities span material scale and strive to allow microstructural characterization of material structure and properties, mesoscale analyses of damage, and macroscale evaluation of heatshield performance and recession in a given aerothermodynamic environment. This talk will detail the application of developed capabilities at all three scales to the woven TPS material that the Agency has selected as the heatshield for the Mars Sample Return Earth Entry System (MSR-EES) mission – 3D Mid-Density Carbon Phenolic (3MDCP). Each of the applications focuses on driving down uncertainties in material performance and thus risk for MSR-EES and other future missions that may leverage woven TPS. At the microscale, machine learning techniques are used to characterize images from destructive microscopy and inform structural variability. At the mesoscale, Lagrangian techniques are used to simulate ballistic impact and interpret damage modes noted in experiments. At the macroscale, coupled flow-material response techniques are validated by Arc Jet testing to enable heatshield design for missions with massive ablation.

Justin B Haskins↗
NASA NTRS2026

Development of a One-Domain Volume-Averaged Navier–Stokes Solver

The interaction between a high-enthalpy flow and a thermal protection material is inherently multiscale and multiphysics. In conventional aerothermal analyses, the external flow and material response are generally modeled using separate computational domains coupled through boundary conditions at the material surface. Although this approach has supported many practical applications, it requires assumptions about the location and behavior of the interface and may become difficult to apply when material decomposition, internal reactions, and surface recession substantially alter the porous structure. This report presents the development of a one-domain formulation in which the free-fluid and porous-material regions are represented within a single computational domain. The formulation is based on the volume-averaged Navier–Stokes (VANS) equations, derived from the governing equations for reacting, compressible flow and condensed material. Volume averaging transfers the influence of the unresolved material microstructure to the macroscale equations through effective transport properties, interfacial source terms, and dispersion fluxes. Particular attention is given to regions in which porosity and permeability vary rapidly, including the diffuse transition between a porous material and the surrounding fluid. The resulting equations are implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO). The report describes the pressure–velocity coupling strategy used by the solver, examines spatial filtering techniques for deriving effective properties, and evaluates the influence of a smoothly varying interface permeability. Numerical demonstrations include canonical porous-flow configurations, a flow-tube configuration representative of FiberForm® permeability experiments, and the oxidation of a porous carbon material. The purpose of this work is to establish a mathematical and computational foundation for a unified treatment of flow and thermal protection material response. The present formulation is intended to support the progressive inclusion of additional physical processes, including multicomponent transport, finite-rate gas–surface chemistry, pyrolysis, internal oxidation, and material recession. It also provides a framework for connecting pore-scale simulations and microstructural characterization with macroscale aerothermal-response calculations. This report is intended for researchers and engineers working in computational fluid dynamics, porous-media transport, material response, and thermal protection system modeling. It documents both the theoretical development and the initial numerical assessment of the one-domain approach, while identifying the closure of effective and dispersion terms as an important subject for continued investigation.

Ablation↗