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NASA NTRS1980

Propagation in a shearing plasma. II - Turbulence and the frequency range of pulsar microstructure

Numerical calculations are presented which explore the propagation of radio waves and pulses through a turbulent shearing plasma. A stochastic model is used to describe the turbulent velocity field, in which random fluctuations are superposed on a mean profile. Both Gaussian wave packets and shot-noise pulses polarized in the plane of shearing acquire quasi-periodic intensity modulations above the rest-frame plasma frequency. The frequency range over which these modulations appear is shown to depend on the spatial correlation length of the turbulent fluctuations and on their standard deviation from the mean velocity. The period of the modulations is variable from one realization of the random process to the next, and the average period is frequency dependent. The results of these calculations lend further support to a model for pulsar microstructure in which periodic micropulses are pure temporal modulations of the emitted radiation due to propagation effects in magnetospheric shearing regions. It is shown that turbulence on a scale of approximately 10 cm can produce these quasi-periodic modulations over a frequency range comparable to that of observed microstructure.

Harding, A. K.↗
NASA NTRSDate not supplied

Predictive Modeling of Carbon Ablators

Efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. To reduce the need for extensive testing, accelerate the design cycle process, and reduce uncertainty margins applied to final designs, NASA is developing simulation and modeling tools that enable characterization of material properties and response to high-enthalpy environments. The Porous Microstructure Analysis (PuMA) code has been developed for computing macroscale (volume averaged) properties of porous materials using microscale images from micro-computed tomography (micro-CT). Microscale modeling requires a realistic representation of a material microstructure; these are obtained either synthetically during the design of the material or through X-ray micro-CT. Volume averaged properties are then used to inform macroscale material response models, such as those implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO) software, also actively developed by NASA. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale assuming local thermal equilibrium. These tools were developed to efficiently interface with other pre-existing codes such as SPARTA (direct simulation Monte Carlo), DPLR (hypersonic CFD), NEQAIR (radiative transport) and DAKOTA (uncertainty quantification and optimization). Detailed flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI]) is critical for validating these computational tools for NASA applications. Examples of modeling ablative material response using these codes will be presented including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrate the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains, through the use of massively parallel computations.

Thermal Protection Systems↗
NASA NTRSDate not supplied

Predictive Modeling of Carbon Ablators Using Micro and Macro-Scale Modeling

Efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. To reduce the need for extensive testing, accelerate the design cycle process, and reduce uncertainty margins applied to final designs, NASA is developing simulation and modeling tools that enable characterization of material properties and response to high-enthalpy environments. The Porous Microstructure Analysis (PuMA) code has been developed for computing macroscale (volume averaged) properties of porous materials using microscale images from micro-computed tomography (micro-CT). Microscale modeling requires a realistic representation of a material microstructure; these are obtained either synthetically during the design of the material or through X-ray micro-CT. Volume averaged properties are then used to inform macroscale material response models, such as those implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO) software, also actively developed by NASA. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale assuming local thermal equilibrium. These tools were developed to efficiently interface with other pre-existing codes such as SPARTA (direct simulation Monte Carlo), DPLR (hypersonic CFD), NEQAIR (radiative transport) and DAKOTA (uncertainty quantification and optimization). Detailed flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI]) is critical for validating these computational tools for NASA applications. Examples of modeling ablative material response using these codes will be presented including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrate the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains, through the use of massively parallel computations.

Thermal Protection Systems↗
NASA NTRSDate not supplied

Updates on the Predictive Materials Modeling Software Tools

Updates on NASA‘s efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. The PMM effort is part of the Entry Systems Modeling (ESM) project under NASA’s Game Changing Development (GCD) program. To reduce the need for extensive testing and accelerate the design cycle process, ESM is developing simulation and modeling tools that enable the characterization of the properties of thermal protection materials and their response to extremely hot plasma. The Porous Microstructure Analysis (PuMA) software has been developed to compute effective material properties and perform material response simulations on digitized microstructures of porous media. PuMA is able to import three-dimensional digital images obtained from X-ray microtomography or to generate artificial microstructures that mimic real materials. PuMA also provides a module for interactive 3D visualizations. Version 3, which was recently released as open-source, includes modules to compute simple morphological properties such as porosity, volume fractions, pore diameter, and specific surface area. Additional capabilities include the determination of effective thermal and electrical conductivity (both radiative and solid conduction - including the ability to simulate local anisotropy for the latter); effective diffusivity and tortuosity from the continuum to the rarefied regime; techniques to determine the local material orientation, as well as mechanical properties (elasticity coefficients), and permeability. Computed properties are then used to inform a macro-scale material response model, such as those implemented in the Porous material Analysis Toolbox based on OpenFOAM (PATO) software developed within ESM. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale, assuming Local Thermal Equilibrium. Recent efforts include the development of a mechanical erosion model as well as a unified model allowing an intrinsic coupling between fluid and material. Comparison to flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI] and Mars 2020 MEDLI2) is critical in order to validate these computational tools. Examples of ablative material response using the code will be presented, including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrated the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains through the use of massively parallel computations.

material modeling↗
NASA NTRSDate not supplied

Modeling the Effective Elasticity of Anisotropic Porous Materials

The development and optimization of composite materials designed for thermal protection of NASA’s spacecraft require understanding their physical response to high-enthalpy environments. To predict their macro-scale properties and behavior, high-fidelity 3D simulations are performed at the microscale on realistic representations of these composites. The digital microstructures are generated either synthetically or through X-ray micro-computed tomography reconstructions. One of the main challenges in the prediction of the structural response of heatshield materials is the computation of the effective elasticity of the fibrous composite, as well as the understanding of the deformation and stresses generated at the microscale. These are driven by the fiber layout within the microstructure and the distribution of the infused matrix. In this effort, the micro-mechanical linear elastic behavior of fibrous ablators is modeled using a numerical method based on the Multi-Point Stress Approximation (MPSA) finite volume scheme, a generalization of the more commonly used Multi-Point Flux Approximation (MPFA) that was presented at the 10th Ablation Workshop. To predict the behavior of fibrous and woven architectures, algorithms that compute the local fiber orientation are used. The implementation of the MPSA was verified using analytical solutions, engineering test cases, and compared against legacy Finite Element Analysis (FEA) software. The stress analysis models were then applied to real geometries used by NASA in thermal protection systems such as fibrous preforms and woven materials and the results were compared to experimental data.

Elasticity↗
NASA NTRSDate not supplied

Modeling Pore Closure in the Hot Isostatic Pressing of Additively Manufactured Inconel 718 Samples

Additive manufacturing provides opportunity for a new world of possibilities for metallic component design and fabrication; however, as-built part quality is notoriously variable, anisotropic, and degraded by porous defects. To improve quality, parts are commonly post processed using a variety of techniques including hot isostatic pressing (HIP). During HIP, high temperature and pressure is employed to improve microstructure and reduce pore volume by inducing visco-plastic deformation in the metallic substrate. Validated computational capabilities can provide predictions to guide the selection of processing condition, expected pore reduction, and the effects of varying entrapped gas in the pores. This discussion describes a micro-scale finite element structural model developed to predict pore closure due to HIP in as-built additively manufactured Inconel 718 samples produced by the laser powder bed fusion process. The model accounts for plastic deformation, creep, and internal pressure for a single pore. Pores are characterized in physical samples before and after HIP, and model predictions are compared to this measured data.

defect model prediction↗
NASA NTRS2003

Microsample Characterization of Coatings for Grcop-84 for High Heat Flux Applications

A multidisciplinary Johns Hopkins University-NASA Glenn team is undertaking a collaborative research program to elucidate and model the thermal stability and mechanical integrity of candidate coatings for GRCop-84. GRCop-84 is a high conductivity, high strength copper alloy that was recently developed at NASA Glenn for use in high temperature, high heat flux applications. With potential applications in rocket motor combustion chamber liners, nozzle ramps and other actively cooled structures, this new material offers great potential for decreasing weight and increasing reliability of third generation reusable launch vehicles. Current emphasis has turned toward the development of environmentally resistant and thermal barrier coatings for this alloy. Metallic coatings such as NiCrAlY and Cu-8-30%Cr have shown promise in: prohibiting blanching, reducing dog-house failures, increasing operating temperatures and decreasing cooling requirements. The focus of this research program is to develop a fundamental understanding of the substrate-coating interactions that occur during thermal cycling (inter-diffusion, viscoplasticity, morphological evolution, crack formation, etc.) and to derive a science-based protocol for future coating selection, optimization and reliability assurance. The microsample tensile testing approach adopted for this study allows us to characterize small-scale and highly scale-specific coatings and properties in a way not possible by conventional means. In addition to providing much needed design data, the integration of microsample testing with detailed microstructural observations provides a mechanistic foundation for coating optimization and life prediction modeling.

Hemker, Kevin↗
NASA NTRS1999

Monte Carlo Simulation of Alloy Design Techniques: Fracture and Welding Studied Using the BFS Method for Alloys

Large-scale simulations of dynamic processes at the atomic level have developed into one of the main areas of work in computational materials science. Until recently, severe computational restrictions, as well as the lack of accurate methods for calculating the energetics, resulted in slower growth in the area than that required by current alloy design programs. The Computational Materials Group at the NASA Lewis Research Center is devoted to the development of powerful, accurate, economical tools to aid in alloy design. These include the BFS (Bozzolo, Ferrante, and Smith) method for alloys (ref. 1) and the development of dedicated software for large-scale simulations based on Monte Carlo- Metropolis numerical techniques, as well as state-of-the-art visualization methods. Our previous effort linking theoretical and computational modeling resulted in the successful prediction of the microstructure of a five-element intermetallic alloy, in excellent agreement with experimental results (refs. 2 and 3). This effort also produced a complete description of the role of alloying additions in intermetallic binary, ternary, and higher order alloys (ref. 4).

Bozzolo, Guillermo H.↗
NASA NTRS1996

Thermoplastic Ribbon-Ply Bonding Model

The aim of the present work was to identify key variables in rapid weldbonding of thermoplastic tow (ribbon) and their relationship to matrix polymer properties and to ribbon microstructure. Theoretical models for viscosity, establishment of ply-ply contact, instantaneous (Velcro) bonding, molecular interdiffusion (healing), void growth suppression, and gap filling were reviewed and synthesized. Consideration of the theoretical bonding mechanisms and length scales and of the experimental weld/peel data allow the prediction of such quantities as the time and pressure required to achieve good contact between a ribbon and a flat substrate, the time dependence of bond strength, pressures needed to prevent void growth from dissolved moisture and conditions for filling gaps and smoothing overlaps.

Hinkley, Jeffrey A.↗
NASA NTRS2015

Analysis of Fibrous Felts for Flexible Ablators Using Synchrotron Hard X-Ray Micro-Tomography

We analyzed the material properties of low-density felts that are used as substrates for new-generation flexible and conformal carbon/phenolic ablators, and compared them with those of a rigid carbon fiber preform that is used to manufacture rigid carbon/phenolic ablators. Micro-tomography measurements were obtained using synchrotron X-rays, allowing the characterization of the materials microstructure at the scale of the fibers. Using the tomography voxels as computational grids, we computed tortuosity and room temperature conductivity. In addition we performed micro-scale simulations of the oxidation of carbon fibers using a random walk model for oxygen diffusion and a probability law to model surface reactions.

Ablation↗
NASA NTRSDate not supplied

Updates to the Predictive Materials Modeling Software Tools

Updates on NASA's efforts to build predictive material models from the micro-scale to the macro-scale are presented. To complement the mission design cycle process and reduce the need for extensive testing, NASA is developing modeling and simulation tools that enable characterizing material properties and response to hot plasma experienced during atmospheric entry. The PuMA (microstructure analysis), PATO (macroscale material response), SPARTA (direct simulation Monte Carlo) and ARCHeS (arc heater modeling) codes are described. A range of applications, encompassing calculating effective material properties, study of high shear boundary layer flow over woven materials, new model of silicone-based coatings, new model of mechanical erosion, as well as approach to loose multi-physics coupling, are presented.

material modeling↗
NASA NTRSDate not supplied

PuMA and Multiscale Modeling

The Porous Microstructure Analysis (PuMA) software was initially developed to analyze tomographic reconstructions of fibrous materials, commonly used as insulators in NASA spacecrafts. Since then, the software grew in capabilities and it is now able to compute many different geometric and physical properties, which are often anisotropic at multiple scales. In addition, PuMA can generate its own artificial microstructures in order to study their performance. This talk will give an overview of the main functions and display its application to some of the widely used carbon ablators for heatshields, including the more challenging woven architectures.

Federico Semeraro↗
NASA NTRSDate not supplied

Toughening of Boron Carbide Composites by Hierarchical Microstructuring

Due to a unique combination of properties including high hardness, low density, chemical and thermal stability, semi-conductivity, and high neutron absorption, boron carbide (B4C) is a potential candidate for various applications involving extreme environment. However, B4C’s current application is limited because of its low fracture toughness. In this study, a hierarchical microstructure design with features including TiB2 grains and graphite platelets was used to toughen B4C by simultaneously utilizing multiple toughening mechanisms including crack deflection, bridging, and micro-crack toughening. Using field-assisted sintering technology (FAST), B4C composites with dense and hierarchical microstructure were fabricated. Previously, the fracture toughness of fabricated B4C composites was measured at micro-scale using micro-indentation to have up to 56% improvement. In this work, the B4C composites’ fracture toughness was characterized at macro-scale using four-point bending methods and compared with previous results obtained at micro-scale. Micromechanics modeling of fracture behaviors for B4C-TiB2 composites was also performed to evaluate the contributions from experimentally observed toughening mechanisms. From four-point bending tests, B4C composites reinforced with both TiB2 grains (~15 vol%) and graphite platelets (~8.7 vol%) exhibited the highest fracture toughness enhancement from 2.38 to 3.65 MPa∙m^(1/2). The measured values were lower than those obtained using micro-indentation but maintained the general trends. The discrepancy between the indentation and four-point bending test results originated from the complex deformation behaviors triggered by the high contact load during indentation tests. Through micromechanics modeling, introduced thermal residual stress due to thermal expansion mismatch between B4C and TiB2, and weak interphases at B4C-TiB2 boundaries were identified as the main causes for experimentally observed toughness enhancement. These results proved the effectiveness of hierarchical microstructure designs for B4C toughening and can provide reference for the future design of B4C composites with optimized microstructures for further fracture toughness enhancement.

composites↗
NASA NTRS1992

Experimental results and numerical modeling of solidification during aircraft high-g arcs

The question of how the Coriolis and gravity gradient forces during high-gravity maneuvers compare to that for common centrifuges is addressed. Microstructural examination of samples solidified during high-gravity arcs reveals no evidence of convection dampening. As a first approximation, the high-gravity arc is modeled as a centrifuge with a radius of 20,480 ft and angular speed of 0.318 rpm. Scaling analysis indicates that the Coriolis and gravity gradient expected on the aircraft high gravity arc are less than that for the centrifuges by a factor of 100. Detailed Navier-Stokes analysis of the fluid flow and thermal fields during solidification of aluminum and Cd-Te during KC-135 high gravity show that convective flows of about 1 mm/s are induced. The thermal field is only slightly modified by the convection. Coriolis and gravity gradient during solidification in KC-135 high-gravity arcs, even at accelerations that have been shown to produce significant convective flow dampening in the centrifuge systems, are found to have no significant influence on the melt thermal and flowfields.

Curreri, P. A.↗
NASA NTRSDate not supplied

Computationally Guided Development of Components for High Energy Density Solid-State Lithium-Sulfur Batteries

All electric vertical take-off and landing vehicles (eVTOL) for urban air mobility (UAM) concepts face numerous challenging technical barriers before their introduction into the consumer marketplace. The most challenging of these technical barriers to overcome is developing an energy storage system capable of meeting the rigorous aerospace safety and performance criteria1. The performance metrics for eVTOL craft, such as specific energy, specific power, and safety, exceed those of electric automobiles by a factor of two to four. Current state-of-the-art (SOA) lithium-ion batteries are incapable of meeting the key performance criteria of energy and safety for eVTOL. Therefore, next generation advanced chemistries and designs must be developed to meet required performance metrics for electric aviation2. Beyond lithium-ion chemistries, such as lithium-sulfur, show promise in their high energy, while limitations exist in their power and cyclability due to low electrical conductivity and high intermediate solubility in organic liquid electrolytes. Several strategies to overcome the low electrical conductivity involve the use of selenium as a dopant in the active sulfur material, along with the incorporation of 2-dimensional electron-conducting holey-graphene to improve the composite cathodes electronic conductivity. Furthermore, combining this chemistry with a solid-electrolyte avoids the components’ dissolution issues3. However, the development of composite solid-state cathodes is non-trivial as several components must be intimately mixed so that the active component has sufficient access to both electrons and lithium ions to undergo full electrochemical conversion. Mathematical modeling of battery components can assist experimental design through a robust and rigorous combination of computational modeling techniques covering multiple length scales. The objective is to leverage modern computational materials methods combined with battery multiphysics tools to develop radically advanced compatible cathode and electrolyte materials, build and test solid state lithium-sulfur cells and packs. A NASA-based cross-organizational team of high-powered experts combined integrated computational predictive modeling, fundamental chemistry analysis, advanced material science, and battery cell development to tackle this very challenging, multidisciplinary problem. This presentation will show a multiscale computational modeling approach that has produced a novel particle dynamics method called Solid Electrolyte Sphere Approximation Model (SESAM). SESAM modeling targets the 1-10 µm scale structures and provides electromechanical and grain interactions for predictive design guidelines for the manufacturing of solid-state components. Parameters such as particle size and volume fraction of the constituent materials were modeled and experimentally fabricated to optimize electrochemical performance through improved microstructure design. Experimental feedback was provided through ionic and electronic conductivity assessment and structural analysis of developed materials and cell components.

battery↗
NASA NTRS2004

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↗
NASA NTRSDate not supplied

Establishing and Maintaining the Digital Thread of Additively Manufactured Materials and Applications

Additive Manufacturing (AM) and Integrated Computational Materials Engineering (ICME) are complementary enabling technologies for design and manufacturing of “fit-for-purpose” materials. Both technologies will impact rapid material design, reduction in cost- and time-to-market for new applications, and discovery and implementation of new materials. An ICME approach to design, however, requires experimentally validated material models at multiple length and time scales, an integrated framework that can connect analysis tools with one another to ensure the digital thread of an application is maintained, and the manufacturing (e.g., AM) capability to leverage processing-structure-property-performance (PSPP) relationships to achieve spatially varying material properties where desired. AM enables the implementation of the design of an optimized, spatially varying microstructure through careful selection of the processing parameters used during an additively manufactured build. In order to establish these PSPP relations, a large amount of data is necessary, and that data must be properly captured, analyzed and maintained in an information management system that can establish the required traceability between various aspects of the design process to ensure an application’s digital thread is maintained (from design to end of life). Such an information management system must be able to capture feedstock material pedigree, resulting microstructure from various build parameters, subsequent mechanical properties derived from testing, developed material models, and enable spatial variations in material assignment in an engineering application. Furthermore, the information management system should be easily integrated with traditionally engineered materials in a single, centralized platform to enable an ICME optimization tool to explore both types of manufacturing processes. At NASA GRC, a robust, 21st century materials information management system has been previously developed with a focus towards enabling ICME. In this work, GRC’s ICME schema is extended to accommodate additively manufactured materials, enabling storage of both traditionally and additively manufactured materials in the same construct. The methodology for properly capturing additively manufactured materials across the entire material lifecycle is presented, following the previously established database best practices, as a potential framework for establishing PSPP relationships for additively manufactured materials and applying them to engineering applications.

Data management↗
NASA NTRS2001

Dendritic Alloy Solidification Experiment (DASE)

A space experiment, and supporting ground-based research, is proposed to study the microstructural evolution in free dendritic growth from a supercooled melt of the transparent model alloy succinonitrile-acetone (SCN-ACE). The research is relevant to equiaxed solidification of metal alloy castings. The microgravity experiment will establish a benchmark for testing of equiaxed dendritic growth theories, scaling laws, and models in the presence of purely diffusive, coupled heat and solute transport, without the complicating influences of melt convection. The specific objectives are to: determine the selection of the dendrite tip operating state, i.e. the growth velocity and tip radius, for free dendritic growth of succinonitrile-acetone alloys; determine the growth morphology and sidebranching behavior for freely grown alloy dendrites; determine the effects of the thermal/solutal interactions in the growth of an assemblage of equiaxed alloy crystals; determine the effects of melt convection on the free growth of alloy dendrites; measure the surface tension anisotropy strength of succinon itrile -acetone alloys establish a theoretical and modeling framework for the experiments. Microgravity experiments on equiaxed dendritic growth of alloy dendrites have not been performed in the past. The proposed experiment builds on the Isothermal Dendritic Growth Experiment (IDGE) of Glicksman and coworkers, which focused on the steady growth of a single crystal from pure supercooled melts (succinonitrile and pivalic acid). It also extends the Equiaxed Dendritic Solidification Experiment (EDSE) of the present investigators, which is concerned with the interactions and transients arising in the growth of an assemblage of equiaxed crystals (succinonitrile). However, these experiments with pure substances are not able to address the issues related to coupled heat and solute transport in growth of alloy dendrites.

Beckermann, C.↗