Simulation of the Effect of Texture on Anisotropy in SLM-Produced IN 718 Microstructures
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selective laser melting, additive manufacturing, t↗
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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.↗
Investigating Sulfur-Rich Mercury Analogs Exposed to Simulated Micrometeoroid Bombardment in the Laboratory
Space weathering (SW) continually alters the spectral, microstructural, and chemical characteristics of the surface of airless bodies across the solar system. The effects of SW vary depending on the heliocentric distance and the initial composition of the target surface. While SW on the Moon and S-type asteroids is well documented, our understanding of how this process affects Mercury is at an early stage. Mercury’s interplanetary environment is harsh, with the surface of the planet experiencing an intense solar wind flux as well as a higher flux and velocity of micrometeoroid impactors compared to the Moon and S-type asteroids. In addition, Mercury is also a geochemical endmember, with a surface composition low in Fe (<2 wt.%) and enriched in volatile components, such as sulfur (up to 4 wt.% in the low reflectance material (LRM)). These volatile components are thought to play a major role in the formation of hollows via their sublimation. Sulfur has been hypothesized to occur at the surface of Mercury as sulfide minerals (MgS, CaS) based on its correlation with Mg and Ca in remote sensing data. However, recent observations of chaotic terrains in the north polar area of Mercury and of glacier-like features at lower latitudes indicated that octasulfur (S 8 , elemental sulfur) is another likely constituent of a volatile-rich layer in Mercury’s crust. Its behavior on Mercury may result in a complex cycle of enrichment and depletion. While S is often depleted on small body surfaces, Mercury’s gravity could result in ejected S subsequently returning to the surface and coating regolith grains. Further, the reaction of reduced S-rich gas with glasses of a Mercury-like composition also produced S-rich coatings. However, the precise behavior and evolution of S-rich species exposed to the harsh SW on Mercury remains poorly understood and needs to be further investigated in the laboratory. Here, we present the results of our analyses of the spectral, microstructural, and chemical characteristics of S-rich Mercury analogs irradiated by pulsed laser to simulate the short duration, high temperature events associated with micrometeoroid impacts.
N Bott↗
A Computational Study to Investigate the Effect of Defect Geometries on the Fatigue Crack Driving Forces in Powder-Bed AM Materials
Powder-bed additive manufacturing (AM) processes are associated with the formation of multiple types of process-specific pores, including but not limited to lack-of-fusion (LoF) and keyhole pores. The performance of an AM component is dependent on the type of pores, their density and their proximity to the free surface, and other heterogeneities in the microstructure. In order to characterize the influence of porosity on the mechanical behavior of AM materials, it is imperative to quantitatively analyze the heterogeneous strain accumulation in the vicinity of porosity. Process-specific microstructure models are generated using SPPARKS, an open-source process simulation code. Spherical keyhole or irregular LoF pores are embedded into the microstructure models, which are meshed and input into a finite element code, ScIFEN, to solve for the heterogeneous strain localization in the vicinity of the pores. Given the non-smooth geometries of LoF pores, they readily promote strain accumulation in their vicinity thereby increasing the propensity of initiating fatigue cracks.
Saikumar R Yeratapally↗
Integrated Process-Structure-Property Simulations for Additive Manufacturing Using the Open-Source Materialite Package
The microstructure and properties of additively manufactured (AM) metals are strongly dependent on process conditions. Therefore, process-structure-property (PSP) simulations are a useful tool for exploring process parameter space, studying process variations, and quantifying uncertainty in material properties. However, integrating process-structure and structure-property simulations often involves connecting multiple software packages. Each package may use unique data structures and require substantial domain knowledge. This presentation demonstrates PSP simulation capabilities of Materialite, an open-source package developed at NASA Langley Research Center. Materialite simplifies model linkages by using a common data structure and model interface, enabling straightforward simulation across a PSP model chain. Physics-based models, including kinetic Monte Carlo and crystal plasticity, are implemented within the package. The model interface is also intended to simplify implementation of new models and enable integration with external simulation tools. Example use cases include uncertainty quantification with PSP models and GPU-accelerated powder bed fusion AM process models.
additive manufacturing↗
Analytical study of space processing of immiscible materials for superconductors and electrical contacts
The results of a study conducted to determine the role space processing or materials research in space plays in the superconductor and electrical contact industries are presented. Visits were made to manufacturers, users, and research organizations connected with these products to provide information about the potential benefits of the space environment and to exchange views on the utilization of space facilities for manufacture, process development, or research. In addition, space experiments were suggested which could result in improved terrestrial processes or products. Notable examples of these are, in the case of superconductors, the development of Nb-bronze alloys (Tsuei alloys) and, in the electrical contact field, the production of Ag-Ni or Ag-metal oxide alloys with controlled microstructure for research and development activities as well as for product development. A preliminary experimental effort to produce and evaluate rapidly cooled Pb-Zn and Cu-Nb-Sn alloys in order to understand the relationship between microstructure and superconducting properties and to simulate the fine structure potentially achievable by space processing was also described.
Gelles, S. H.↗
Modeling for Ultrasonic Health Monitoring of Foams with Embedded Sensors
In this report analytical and numerical methods are proposed to estimate the effective elastic properties of regular and random open-cell foams. The methods are based on the principle of minimum energy and on structural beam models. The analytical solutions are obtained using symbolic processing software. The microstructure of the random foam is simulated using Voronoi tessellation together with a rate-dependent random close-packing algorithm. The statistics of the geometrical properties of random foams corresponding to different packing fractions have been studied. The effects of the packing fraction on elastic properties of the foams have been investigated by decomposing the compliance into bending and axial compliance components. It is shown that the bending compliance increases and the axial compliance decreases when the packing fraction increases. Keywords: Foam; Elastic properties; Finite element; Randomness
Wang, L.↗
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↗
Simulating Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi
A microstructure-based FEM model that couples crystal plasticity, crystallographic descriptions of the B2-B19' martensitic phase transformation, and anisotropic elasticity is used to simulate thermal cycling and isothermal deformation in polycrystalline NiTi (49.9at% Ni). The model inputs include anisotropic elastic properties, polycrystalline texture, DSC data, and a subset of isothermal deformation and load-biased thermal cycling data. A key experimental trend is captured.namely, the transformation strain during thermal cycling is predicted to reach a peak with increasing bias stress, due to the onset of plasticity at larger bias stress. Plasticity induces internal stress that affects both thermal cycling and isothermal deformation responses. Affected thermal cycling features include hysteretic width, two-way shape memory effect, and evolution of texture with increasing bias stress. Affected isothermal deformation features include increased hardening during loading and retained martensite after unloading. These trends are not captured by microstructural models that lack plasticity, nor are they all captured in a robust manner by phenomenological approaches. Despite this advance in microstructural modeling, quantitative differences exist, such as underprediction of open loop strain during thermal cycling.
Manchiraju, Sivom↗
Uncertainty Reduction With Multi-Model Monte Carlo for Crystal Plasticity Simulations of Additively Manufactured Metals
In this work, multi-model Monte Carlo estimators are developed to reduce uncertainty in quantities of interest (QoIs) extracted from crystal plasticity simulations of additively manufactured (AM) metals. A significant concern in AM parts is uncertainty in mechanical properties caused in part by complex microstructures that arise from the AM process. Quantifying uncertainty in microstructure-sensitive behavior using experiments alone is costly, especially when mechanical allowables must be established. Quantitative relationships among microstructure, micromechanical metrics like slip accumulation, crack initiation, and failure are also difficult to capture with limited experiments. Crystal plasticity material models instead enable computational prediction of micromechanical stress and strain fields given a discretized microstructure. However, high-fidelity finely discretized crystal plasticity simulations are computationally expensive, while lower-fidelity models are less accurate and generally biased, making uncertainty quantification and reduction computationally difficult as well. Multi-model Monte Carlo methods leverage correlations between high- and low-fidelity models to produce unbiased estimators for QoIs with reduced uncertainty relative to standard Monte Carlo. Crystal plasticity QoIs considered in this work include yield strength and the mean and extreme values of micromechanical fields that are relevant to crack initiation. Multi-model Monte Carlo estimators are developed for each individual QoI and several groups of QoIs. The results of this work establish relationships among model correlations, sample allocation, and uncertainty reduction for different combinations of QoIs and demonstrate a trend of less uncertainty reduction as QoIs become more sensitive to local microstructure. Limitations from using pilot samples to estimate model covariances and train low-fidelity models are also addressed. The uncertainty reduction achieved by multi-model Monte Carlo is an important step toward using computational mechanics models to predict microstructure-sensitive crack initiation and failure in AM parts.
uncertainty quantification↗
Scanning and Transmission Electron Microscopy of High Temperature Materials
Software and hardware updates to further extend the capability of the electron microscope were carried out. A range of materials such as intermetallics, metal-matrix composites, ceramic-matrix composites, ceramics and intermetallic compounds, based on refractory elements were examined under this research. Crystal structure, size, shape and volume fraction distribution of various phases which constitute the microstructures were examined. Deformed materials were studied to understand the effect of interfacial microstructure on the deformation and fracture behavior of these materials. Specimens tested for a range of mechanical property requirements, such as stress rupture, creep, low cycle fatigue, high cycle fatigue, thermomechanical fatigue, etc. were examined. Microstructural and microchemical stability of these materials exposed to simulated operating environments were investigated. The EOIM Shuttle post-flight samples were also examined to understand the influence of low gravity processing on microstructure. In addition, fractographic analyses of Nb-Zr-W, titanium aluminide, molybdenum silicide and silicon carbide samples were carried out. Extensive characterization of sapphire fibers in the fiber-reinforced composites made by powder cloth processing was made. Finally, pressure infiltration casting of metal-matrix composites was carried out.
Source record↗
Using Simulated Micrometeoroid Impacts to Understand the Progressive Space Weathering of the Surface of Mercury
The surfaces of airless bodies such as Mercury are continually modified by space weathering, which is driven by micrometeoroid impacts and solar wind irradiation. Space weathering alters the chemical composition, microstructure, and spectral properties of surface regolith. In lunar and ordinarychondritic style space weathering, these processes affect the reflectance properties by darkening (lowering of reflectance), reddening (increasing reflectance with increasing wavelength), and attenuation of characteristic absorption features. These optical changes are driven by the production of nanophase Febearing particles (npFe). While our understanding of these alteration processes has largely been based on data from the Moon and near-Earth S-type asteroids, the space weathering environment at Mercury is much more extreme. The surface of Mercury experiences a more intense solar wind flux and higher velocity micrometeoroid impacts than its planetary counterparts at 1 AU. Additionally, the composition of Mercury’s surface varies significantly from that of the Moon. Most notably, a very low albedo unit has been identified on Mercury’s surface, known as the low reflectance material (LRM). This unit is enriched with up to 4 wt.% carbon, likely in the form of graphite, over the local mean. In addition, the surface concentration of Fe across Mercury’s surface is low (<2 wt.%) compared to the Moon. Our understanding of how these low-Fe and carbon phases are altered as a result of space weathering processes is limited. Since Fe plays a critical role in the development of space weathering features on other airless surfaces (e.g., npFe), its limited availability on Mercury may strongly affect the space weathering features in surface materials. In order to understand how space weathering affects the chemical, microstructural, and optical properties of the surface of Mercury, we can simulate these processes in the laboratory [7]. Here we used pulsed laser irradiation to simulate the short duration, high temperature events associated with micrometeoroid impacts. We used forsteritic olivine, likely present on the Mercurian surface, with varying FeO contents, each mixed with graphite, in our experiments. We then performed reflectance spectroscopy and electron microscopy to investigate the spectral, chemical, and microstructural changes in these samples.
Thompson, Michelle S.↗
Multiscale Modeling of Structurally-Graded Materials Using Discrete Dislocation Plasticity Models and Continuum Crystal Plasticity Models
A multiscale modeling methodology that combines the predictive capability of discrete dislocation plasticity and the computational efficiency of continuum crystal plasticity is developed. Single crystal configurations of different grain sizes modeled with periodic boundary conditions are analyzed using discrete dislocation plasticity (DD) to obtain grain size-dependent stress-strain predictions. These relationships are mapped into crystal plasticity parameters to develop a multiscale DD/CP model for continuum level simulations. A polycrystal model of a structurally-graded microstructure is developed, analyzed and used as a benchmark for comparison between the multiscale DD/CP model and the DD predictions. The multiscale DD/CP model follows the DD predictions closely up to an initial peak stress and then follows a strain hardening path that is parallel but somewhat offset from the DD predictions. The difference is believed to be from a combination of the strain rate in the DD simulation and the inability of the DD/CP model to represent non-monotonic material response.
Saether, Erik↗
Evaluation of Ceramic Foams and Simulated Reentry Environments
NASA and Ames is conducting ongoing research in lower density reusable TPS material for future reentry vehicles. Ceramic foams from pre ceramic polymer routes have potential for use in both acreage TPS and as tile leading edges for reentry vehicles. One of the key factors to investigate, when developing new materials for reentry applications, is their oxidation behavior in the appropriate reentry environment whrch can be simulated using ground based arc jet (plasma jet) testing. Studies have shown that oxidation rates of materials will differ when exposed to either monatomatic or molecular oxygen and the amount of monoatomic oxygen depends on the conditions particular to a given test situation. Monoatomic oxygen is always present in reentry environment, therefore arc jet testing is required to provide the appropriate conditions (stagnation pressures, heat fluxes, enthalpies, heat loads and atmospheres) encountered during flight. This preliminary work looks at the response of ceramic foams (Si systems) exposed to simulated reentry environments and investigates the influence of microstructure and composition on the materials response.
Stackpoole, Mairead↗
Ceramic Foams for TPS Applications
Ceramic foams have potential in many areas of Thermal Protection Systems (TPS) including acreage and tile leading edges as well as being suitable as a repair approach for re-entry vehicles. NASA Ames is conducting ongoing research in developing lower-density foams from pre-ceramic polymer routes. One of the key factors to investigate, when developing new materials for re-entry applications, is their oxidation behavior in the appropriate re-entry environment which can be simulated using ground based arc jet (plasma jet) testing. Arc jet testing is required to provide the appropriate conditions (stagnation pressures, heat fluxes, enthalpies, heat loads and atmospheres) encountered during flight. This work looks at the response of ceramic foams (Si systems) exposed to simulated reentry environments and investigates the influence of microstructure and composition on the material? response. Other foam properties (mechanical and thermal) will also be presented.
Stockpoole, Mairead↗
NASA's Nuclear Thermal Propulsion Project
Space fission power systems can provide a power rich environment anywhere in the solar system, independent of available sunlight. Space fission propulsion offers the potential for enabling rapid, affordable access to any point in the solar system. One type of space fission propulsion is Nuclear Thermal Propulsion (NTP). NTP systems operate by using a fission reactor to heat hydrogen to very high temperature (>2500 K) and expanding the hot hydrogen through a supersonic nozzle. First generation NTP systems are designed to have an Isp of approximately 900 s. The high Isp of NTP enables rapid crew transfer to destinations such as Mars, and can also help reduce mission cost, improve logistics (fewer launches), and provide other benefits. However, for NTP systems to be utilized they must be affordable and viable to develop. NASA's Advanced Exploration Systems (AES) NTP project is a technology development project that will help assess the affordability and viability of NTP. Early work has included fabrication of representative graphite composite fuel element segments, coating of representative graphite composite fuel element segments, fabrication of representative cermet fuel element segments, and testing of fuel element segments in the Compact Fuel Element Environmental Tester (CFEET). Near-term activities will include testing approximately 16" fuel element segments in the Nuclear Thermal Rocket Element Environmental Simulator (NTREES), and ongoing research into improving fuel microstructure and coatings. In addition to recapturing fuels technology, affordable development, qualification, and utilization strategies must be devised. Options such as using low-enriched uranium (LEU) instead of highly-enriched uranium (HEU) are being assessed, although that option requires development of a key technology before it can be applied to NTP in the thrust range of interest. Ground test facilities will be required, especially if NTP is to be used in conjunction with high value or crewed missions. There are potential options for either modifying existing facilities or constructing new ground test facilities. At least three potential options exist for reducing (or eliminating) the release of radioactivity into the environment during ground testing. These include fully containing the NTP exhaust during the ground test, scrubbing the exhaust, or utilizing an existing borehole at the Nevada National Security Site (NNSS) to filter the exhaust. Finally, the project is considering the potential for an early flight demonstration of an engine very similar to one that could be used to support human Mars or other ambitious missions. The flight demonstration could be an important step towards the eventual utilization of NTP.
Houts, Michael↗
Simulation of Oxidative Etch Pit Formation and Growth on FiberForm
Erosion of carbon surfaces due to oxidation does not occur uniformly but through the formation of localized etch pits because of active surface sites. These active sites are formed due to the presence of atomic defects on the carbon surface and have much higher reactivity compared to average non-defective sites. Thus, these active sites are the first to react during ablation, resulting in their removal. This causes all the neighboring atoms to be defective, and increasing their reactivity, thus leading to localized carbon removal around these “active” sites. In this manner, these highly reactive defects serve as nucleation sites for the formation and growth of etch pits, with detrimental effects on the structural integrity. In order to understand the influence of these etch pits on the material properties of carbon fiber microstructures, we have developed a new capability within direct simulation Monte Carlo (DSMC) to capture the etch pit formation process. This capability is developed within the DSMC code SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) and can model the material removal in the presence of active sites leading to the formation of etch pits. The focus of the current work will be to study the effect of etch pits on the material properties of FiberForm, the precursor substrate of the PICA Thermal Protection System (TPS) material. The microstructure of virgin FiberForm obtained directly from X-ray microtomography scans is used within SPARTA to obtain the ablated geometries with etch pits. These pitted microstructures are then imported into the Porous Microstructure Analysis (PuMA) software and various material properties such as thermal conductivity, elasticity, and permeability are computed. The variation of these properties because of the complex evolution of the surface topology due to the formation of etch pits is studied and analyzed. Furthermore, the effect of pitting is compared to the case of uniform radial shrinking of fibers, which has been the standard for modelling ablation of carbon structures, and significant differences are observed. Thus, a physically realistic model of material removal through the formation of etch pits will be helpful in predicting the degradation of carbon-based TPS more accurately during oxidation; as well as other mechanisms such as spallation, which involves the removal of chunks of material into the flow due to the growth of etch pits. This will ultimately improve our understanding of the failure modes in these materials due to ablation.
DSMC↗
Simulation of Oxidative Etch Pit Formation and Growth on FiberForm
Erosion of carbon surfaces due to oxidation does not occur uniformly but through the formation of localized etch pits because of active surface sites. These active sites are formed due to the presence of atomic defects on the carbon surface and have much higher reactivity compared to average non-defective sites. Thus, these active sites are the first to react during ablation, resulting in their removal. This causes all the neighboring atoms to be defective, and increasing their reactivity, thus leading to localized carbon removal around these “active” sites. In this manner, these highly reactive defects serve as nucleation sites for the formation and growth of etch pits, with detrimental effects on the structural integrity. In order to understand the influence of these etch pits on the material properties of carbon fiber microstructures, we have developed a new capability within direct simulation Monte Carlo (DSMC) to capture the etch pit formation process. This capability is developed within the DSMC code SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) and can model the material removal in the presence of active sites leading to the formation of etch pits. The focus of the current work will be to study the effect of etch pits on the material properties of FiberForm, the precursor substrate of the PICA Thermal Protection System (TPS) material. The microstructure of virgin FiberForm obtained directly from X-ray microtomography scans is used within SPARTA to obtain the ablated geometries with etch pits. These pitted microstructures are then imported into the Porous Microstructure Analysis (PuMA) software and various material properties such as thermal conductivity, elasticity, and permeability are computed. The variation of these properties because of the complex evolution of the surface topology due to the formation of etch pits is studied and analyzed. Furthermore, the effect of pitting is compared to the case of uniform radial shrinking of fibers, which has been the standard for modelling ablation of carbon structures, and significant differences are observed. Thus, a physically realistic model of material removal through the formation of etch pits will be helpful in predicting the degradation of carbon-based TPS more accurately during oxidation; as well as other mechanisms such as spallation, which involves the removal of chunks of material into the flow due to the growth of etch pits. This will ultimately improve our understanding of the failure modes in these materials due to ablation.
DSMC↗