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Results for “Microstructures, and Modelling”

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 937 records · Page 52

All sources NASA NTRS DOE OSTI

NASA NTRS1991

Mechanical characterization and modeling of non-linear deformation and fracture of a fiber reinforced metal matrix composite

The nonlinear anisotropic mechanical behavior of an aluminum alloy metal matrix composite reinforced with continuous alumina fibers was determined experimentally. The mechanical behavior of the composite were modeled by assuming that the composite has a periodical microstructure. The resulting unit cell problem was solved with the finite element method. Excellent agreement was found between theoretically predicted and measured stress-strain responses for various tensile and shear loadings. The stress-strain responses for transverse and inplane shear were found to be identical and this will provide a simplification of the constitutive equations for the composite. The composite has a very low ductility in transverse tension and a limited ductility in transverse shear that was correlated to high hydrostatic stresses that develop in the matrix. The shape of the initial yield surface was calculated and good agreement was found between the calculated shape and the experimentally determined shape.

Jansson, S.↗

NASA NTRS1999

Reactive Infiltration of Silicon Melt Through Microporous Amorphous Carbon Preforms

The kinetics of unidirectional capillary infiltration of silicon melt into microporous carbon preforms have been investigated as a function of the pore morphology and melt temperature. The infiltrated specimens showed alternating bands of dark and bright regions, which corresponded to the unreacted free carbon and free silicon regions, respectively. The decrease in the infiltration front velocity for increasing infiltration distances, is in qualitative agreement with the closed-form solution of capillarity driven fluid flow through constant cross section cylindrical pores. However, drastic changes in the thermal response and infiltration front morphologies were observed for minute differences in the preforms microstructure. This suggests the need for a dynamic percolation model that would account for the exothermic nature of the silicon-carbon chemical reaction and the associated pore closing phenomenon.

Sangsuwan, P.↗

NASA NTRS2001

Some Novel Solidification Processing Techniques Being Investigated at MSFC: Their Extension for Study Aboard the ISS

The float-zone and the Bridgman techniques are two classical directional solidification processing methods that are used to improve materials properties. Unfortunately, buoyancy effects and gravity-driven convection due to unstable temperature and/or composition gradients still produce solidified products that exhibit segregation and, consequently, degraded properties. This presentation will briefly introduce how some novel processing applications can minimize detrimental gravitational effects and enhance microstructural uniformity. Discussion follows that to fully understand and model these procedures requires utilizing, in conjunction with a novel mixing technique, the facilities and quiescent microgravity environment available on the ISS.

Grugel, R. N.↗

NASA NTRS1993

A Frequency-Dependent Q Model Based Upon Transient Rheological Properties of Heterogeneous Materials

Seismic attenuation at low frequency has previously been modeled using two approaches: (1) Examination of all possible microstructural dislocation mechanisms that involve irreversible thermodynamics [Minster and Anderson 1981, P. Trans. R.S. Lond, A, 299]; (2) Parameterized superposition of one-dimensional analogue springs and dashpots, usually consisting of a three-parameter standard linear solid arrangement [Liu et al. 1976, G.J.R.A.S., 47]. The first approach is appealing in that a strong connection is made between micromechanical dissipation and short-term creep that can be studied in the laboratory. The second approach has the advantage of providing a robust 'fit' to actual seismic observations, but has little intrinsic physical content...

Ivins, Erik R.↗

NASA NTRS2024

Protocol Dependent Frictional Granular Jamming Simulations: Cyclical, Compression and Expansion

Granular matter takes many paths to pack in natural and industrial processes. The path influences the packing microstructure, particularly for frictional grains. We perform discrete element modeling simulations of different paths to construct packings of frictional spheres. Specifically, we explore four stress-controlled protocols implementing packing expansions and compressions in various combinations thereof. We characterize the eventual packed states through their dependence of the packing fraction and coordination number on packing pressure, identifying non-monotonicities with pressure that correlate with the fraction of frictional contacts. These stress-controlled, bulk-like particle simulations access very low-pressure packings, namely, the marginally stable limit, and demonstrate the strong protocol dependence of frictional granular matter.

DEM↗

DOE OSTI2020

The effects of introducing elasticity using different interpolation schemes to the grand potential phase field model

Introducing elastic energy in the phase field method has been shown to influence interfacial energy, depending on the elastic interpolation scheme. This study investigates the impact of the elastic energy when using a grand potential-based phase field method, comparing the result of Khachaturyan’s strain interpolation scheme (KHS) and Voight-Taylor’s elastic energy interpolation scheme (VTS). The KHS model leads to a decrease in the interfacial energy, while the VTS model leads to an increase. The change in interfacial energy is greater with the VTS model than the KHS model, which suggests that the KHS model is more appropriate to limit the artificial impact of the elastic energy on the interfacial energy. When the contribution at the interface is not negligible, it is shown that both the microstructure evolution kinetics and the equilibrium microstructure can be influenced by the choice of the elastic scheme being used. In addition, this paper shows that the grand potential model might not be appropriate when the system requires the introduction of a composition-dependent term in the elastic energy contribution. This limitation is due to the need for an explicit and invertible relation between the total potential and the composition.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗

NASA NTRS1995

NASA-UVA Light Aerospace Alloy and Structures Technology program (LA2ST)

The objective of the LA2ST Program is to conduct interdisciplinary graduate student research on the performance of next generation, light-weight aerospace alloys, composites, and thermal gradient structures in collaboration with NASA-Langley researchers. The general aim is to produce relevant data and basic understanding of material mechanical response, environment/corrosion behavior, and microstructure; new monolithic and composite alloys; advanced processing methods; new solid and fluid mechanics analyses; measurement and modeling advances; and a pool of educated students for aerospace technologies. Specific technical objectives are presented for each of the following research projects: time-temperature dependent fracture in advanced wrought ingot metallurgy, and spray deposited aluminum alloys; cryogenic temperature effects on the deformation and fracture of Al-Li-Cu-In alloys; effects of aging and temperature on the ductile fracture of AA2095 and AA2195; mechanisms of localized corrosion in alloys 2090 and 2095; hydrogen interactions in aluminum-lithium alloys 2090 and selected model alloys; mechanisms of deformation and fracture in high strength titanium alloys (effects of temperature and hydrogen and effects of temperature and microstructure); evaluations of wide-panel aluminum alloy extrusions; Al-Si-Ge alloy development; effects of texture and precipitates on mechanical property anisotropy of Al-Cu-Mg-X alloys; damage evolution in polymeric composites; and environmental effects in fatigue life prediction - modeling crack propagation in light aerospace alloys.

Starke, Edgar A., Jr.↗

DOE OSTI2019

Deformation Mechanisms at Grain Boundaries in Polycrystals (Final Report)

Despite its significance in polycrystalline materials, there have been few experimental investigations of the activity of grain boundary sliding (GBS) and the relationship between GBS and slip transmission at grain boundaries. This work addressed this knowledge gap by an experimental and analytical investigation into the interactions between grain boundary sliding (GBS) and slip transmission plastic deformation mechanisms, and how these are impacted by local microstructure. Polycrystalline columnar aluminum of 99.99% purity was examined as a highly modellable system for characterizing grain boundary-local deformation mechanism interaction. High-resolution, large field-of-view strain fields and grain orientation information were captured and statistically analyzed to identify deformation activity with respect to the local microstructure, using a combination of scanning electron microscopy and digital image correlation (SEM-DIC) with electron backscatter diffraction (EBSD). Alignment between the lower-resolution electron backscatter diffraction (EBSD) data and the higher-resolution strain fields was significantly improved by clustering of strain data within an EBSD-defined boundary mantle. Although this work specifically focuses on characterizing the relationship between grain boundary sliding (GBS) and slip transmission, the developed experimental approach, multimodal data alignment process, and automated displacement discontinuity measurement process can be used to study a variety of mechanism interactions across a broad range of materials. Regarding GBS and slip transmission interaction, significant findings include that (1) grain boundaries that slide easily do not facilitate slip transmission; (2) substantial gradients in GBS magnitude could be found along the length of individual grain boundaries, and these were caused by strain discontinuities across the boundary related to deformation anisotropy between adjacent grains; (3) direct transmission and GBS were anti-compatible and facilitated by opposing boundary types (low misorientation and high energy grain boundaries respectively); (4) increased GBS activity was correlated with decreased indirect transmission behavior; (5) GBS accommodation at triple junctions was enabled by intragranular plasticity; and (6) the local intragranular plastic strain discontinuity between grains determined the magnitude of GBS gradients. The experimental strain fields were compared to that of a tangent crystal plasticity finite element (CPFE) model developed by collaborators (Mr. Ajey Venkataraman and Professor Michael Sangid, Purdue University). Implication of this work for improving CPFE models and deformation prediction are discussed. This work provides insight into the nature of these mechanisms and can be used to identify strain transfer criteria that can lead to improved GBS-sensitive crystal plasticity models.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Dendrite-resolved, full-melt-pool phase-field simulations to reveal non-steady-state effects and to test an approximate model

In this report we study the epitaxial, columnar growth of (multiply oriented) dendrites/cells for a spot melt in a polycrystalline Al–Cu substrate using two-dimensional, phase-field, direct numerical simulations (DNS) at the full-melt-pool scale. Our main objective is to compare the expensive DNS model to a much cheaper but approximate “line” model in which a single-crystal phase-field simulation is confined to a narrow rectangular geometry. To perform this comparison, we develop algorithms that automatically extract quantities of interest (QoIs) from both DNS and line models. These QoIs allow us to quantitatively assess the assumptions in the line model and help us analyze its discrepancy with the DNS model. We consider four sets of heat source parameters, mimicking welding and additive manufacturing conditions, that create a combination shallow and deep melt pools. Our largest DNS simulation used 16K x 14K grid points in space. Our main findings can be summarized as follows. Under AM conditions, the QoIs of line models are in excellent agreement with the full DNS results for both shallow and deep melt pools. Under welding conditions, the primary spacing of the DNS model is smaller than the prediction of line model. We identify a geometric crowding effect that accounts for the discrepancies between the DNS and line models. We propose two potential mechanisms that determine the response of the microstructure to geometric crowding.

36 MATERIALS SCIENCE↗

DOE OSTI2021

A constitutive model incorporating grain refinement strengthening on metallic alloys

Surface nano-crystallization techniques have been recently developed as one of the most efficient ways to optimize materials’ structure, and therefore develop the local and global mechanical behavior as to increase strength without compromising ductility. Here, in this work, we present a constitutive model incorporating grain refinement hardening to simulate the nano-crystallization technique, specifically, surface mechanical attrition treatment. The computation is implemented using user-defined VUMAT subroutines. As an example of its application, a geometry model with full coverage of random impacts are employed. The results show that the model has rather precise predictability of grain size evolution during plastic deformation. The readily embedded with a computational code of material dynamics enables this novel model to be a promising tool to study the dynamic evolution of microstructures under plastic deformation.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Modeling Ni redistribution in the hydrogen electrode of solid oxide cells through Ni(OH) 2 diffusion and Ni-YSZ wettability change

Ni redistribution in the hydrogen electrodes of solid oxide cells is an important degradation mechanism. Its driving force is still under debate. This work focuses on the interplay between Ni(OH) 2 diffusion and Ni-YSZ wettability change. With a Ni(OH) 2 diffusion model developed in our previous work, we further employ three models for the Ni-YSZ contact angle to quantify the Ni-YSZ wettability change. The microstructure evolutions in a reconstructed Ni-YSZ electrode are simulated under selected experimental operating conditions. It is shown that the phenomenological model can capture the driving force of Ni spreading/detachment on YSZ surface and the Ni migration reported in experiments can be qualitatively reproduced through the competition between Ni(OH) 2 diffusion and Ni-YSZ wettability change. It is also found that the initial microstructure of the active layer and the microstructure characteristics in the support layer can strongly affect the distribution of steam partial pressure and overpotential, hence the Ni redistribution, in the active layer, which may explain the inconsistencies in experiments. Further, our results show that there are two missing pieces in current theory of Ni redistribution: a mechanism of fast Ni diffusion under humid atmosphere and the physical reason behind the Ni spreading/detachment.

25 ENERGY STORAGE↗

DOE OSTI2020

Solving Stochastic Inverse Problems for Property–Structure Linkages Using Data-Consistent Inversion and Machine Learning

Determining process–structure–property linkages is one of the key objectives in material science, and uncertainty quantification plays a critical role in understanding both process–structure and structure–property linkages. In this work, we seek to learn a distribution of microstructure parameters that are consistent in the sense that the forward propagation of this distribution through a crystal plasticity finite element model matches a target distribution on materials properties. This stochastic inversion formulation infers a distribution of acceptable/consistent microstructures, as opposed to a deterministic solution, which expands the range of feasible designs in a probabilistic manner. Furthermore, to solve this stochastic inverse problem, we employ a recently developed uncertainty quantification framework based on push-forward probability measures, which combines techniques from measure theory and Bayes’ rule to define a unique and numerically stable solution. This approach requires making an initial prediction using an initial guess for the distribution on model inputs and solving a stochastic forward problem. To reduce the computational burden in solving both stochastic forward and stochastic inverse problems, we combine this approach with a machine learning Bayesian regression model based on Gaussian processes and demonstrate the proposed methodology on two representative case studies in structure–property linkages.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Phase-Field Modeling of Thermally-Grown Oxide and the Induced Damage Evolution in Environmental Barrier Coatings

The advent of next-generation hydrogen-based engines necessitates materials capable of withstanding temperatures beyond the reach of current superalloys. SiC-based ceramic matrix composites, augmented with environmental barrier coatings (EBCs), present a promising materials solution. Given the active search for effective and durable EBCs, there is a pressing need for modeling tools to understand and predict damage evolution in these materials to help accelerate their development. This study introduces a phase-field model (PFM) designed to simulate the critical role of thermally grown oxides (TGO) in the degradation and failure of EBCs. The model accounts for the severe volume expansion due to oxidation, alongside phase transformations and microstructural evolution during thermal cycling, offering a comprehensive view of the damage processes. Simulation results are validated against experimental findings reported in the literature, establishing the model's potential as a significant tool for understanding and improving the resilience of EBCs in cyclic oxidative environments.

Cheng, Tianle↗

NASA NTRS1990

Effect of convection on the microstructure of a lamellar eutectic growing with a stepped interface

A two dimensional model developed to study the influence of convective flow on the concentration field ahead of a growing lamellar eutectic is described when one phase projects out into the melt creating a stepped interface. The two dimensional convective flow field, which is periodic in the horizontal direction, was computed numerically using the software FLUENT. The velocity field generated due to the flow of melt over the steps was then incorporated into a finite difference scheme employed to solve the concentration field. The average interfacial composition was calculated and converted to lamellar spacing using the Jackson and Hunt minimum supercooling criterion. It was found that a stepped interface is more sensitive to convection than a planar interface.

Seth, Jayshree↗

NASA NTRS1991

Effect of convection on the microstructure of a lamellar eutectic growing with a stepped interface

Seth, Jayshree↗

NASA NTRSDate not supplied

Powder Bed Fusion Laser Beam Metals Additive Manufacturing: Process Monitoring Approaches for Qualification and Certification

The use of in-situ process monitoring is of interest to lower the cost of inspection for the qualification of powder bed fusion laser beam metal (PBF-LB/M) additively manufactured (AM) parts. Precise monitoring of the PBF-LB/M AM build process constitutes a multi-scale and multi-discipline task. There are several significant challenges to the in-situ approach: the synchronization of sensor signals to process steps; the physical interpretation and classification of sensor signals; managing very large datasets; and comparing the inputs with the observed monitoring signals. At NASA Langley Research Center, a configurable architecture additive testbed has been developed to monitor the build process with synchronized sensors. The philosophy and method adopted for the synchronization of the cameras with laser power and position throughout a complex PBF-LB/M AM build will be described. The synchronized in-situ monitoring signals are compared with ex-situ nondestructive inspection, x-ray computed tomography (XCT). Such comparisons permit a better understanding of how the sequential process actions of LPBF-AM can affect build quality. The multi-scale and complex process of printing additively manufactured (AM) parts can have unexpected, but predictable, build conditions that result in material microstructure variability. This presentation will describe an additive manufacturing model-based process metric (AM-PM) computational method that is a fully parallel reduced order modeling approach developed to evaluate the evolution of AM processes. This method couples the known sequence of the AM process with a physically informed nearest neighbors’ calculation to map the conditions of a part-scale build. The result is a map of the build that is derived directly from build files or in-situ process monitoring sensors. The methodology of the approach will be described and mapped to the porosity observed from XCT for a complex PBF-LB/M build. Such comparative results develop understanding of how the sequential process actions can affect the PBF-LB/M AM build quality and microstructure variability.

Laser Powder Bed Fusion↗

DOE OSTI2020

AFIP6-MkII and RERTR-12 Porosity Data Collection and Analysis for Modeling and Simulation

Gathering data for the improvement of nuclear fuel modeling and simulation efforts is the primary driver for this work. Mechanistic models allow for a better understanding of the material on a micro- and macrostructural level while saving time and money over traditional experiment efforts. Historically, summarized data and correlations are the inputs for empirical material models and model validation. When improving these models for nuclear fuels with experimental results, there is a lack of reliable data readily available. Experiments - RERTR-12 and AFIP6-MkII - were conducted to understand the irradiation behavior of metallic U-10Mo monolithic fuels for use in extreme reactor environments such as research reactors like the Advanced Test Reactor (ATR) or the High Flux Isotope Reactor (HFIR). Microstructural characteristics of fission gas pores (FGP) in each experiment are collected using an automated image analysis technique developed at the University of Florida and presented here. A series of statistical tests are performed to explore the reliability of the results, as well as understand where the data is lacking and what future data collection is necessary to provide sufficient information to assist modeling efforts. The focus is on the porosity, pore size, and eccentricity of FGPs formed during irradiation in three AFIP6-MkII samples and one RERTR-12 sample. From the analysis, it is clear there are substantial impacts of fission density on the pore structure, but there also exist also underlying connections between each sample and the behavior observed in the pores. Further analyses of the pre- and post-irradiation microstructure are needed to improve the understanding of these connections. An early method for microstructural data analysis is presented within and is currently being expanded to include other microstructure data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗