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Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA's exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA's Entry Systems Modeling (ESM) Project, which serves as the Agency's only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specific models for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures.

Barnhardt, Michael D.↗

Recent Advancements in Modeling and Simulation of Entry Systems at NASA

This paper describes recent development of modeling and simulation technologies for entry systems in support of NASA’s exploration missions. Mission-tailored research and development in modeling of entry systems occurs across the Agency (e.g., within the Orion and Mars 2020 Programs), however the aim of this paper is to discuss the broad, cross-mission research conducted by NASA’s Entry Systems Modeling (ESM) Project, which serves as the Agency’s only concerted effort toward advancing entry systems across a range of technical disciplines. Technology development in ESM is organized and prioritized from a system-level perspective, resulting in four broad technical areas of investment: (1) Predictive material modeling, (2) Shock layer kinetics and radiation, (3) Computational and experimental aerosciences, and (4) Guidance, navigation, and control. Investments in thermal protection material modeling are geared toward high-fidelity, predictive models capable of handling complex structures, with an eye toward optimizing design performance and quantifying thermal protection system reliability. New computational tools have been developed to characterize material properties and behavior at the microstructural level, and experimental techniques (molecular beam scattering, micro-computed tomography, among others) have been developed to measure material kinetics, morphology, and other parameters needed to inform and validate detailed simulations. Advancements have also been made in macrostructural simulation capability to enable 3-D system-scale calculations of material response with complex topological features, including differential recession of tile gaps. Research and development in the area of shock layer kinetics has focused on air and CO2-based atmospheres. Capacity and capability of the NASA Ames Electric Arc Shock Tube (EAST) have been expanded in recent years and analysis of resulting data has led to several improvements in kinetic models, while simultaneously reducing uncertainties associated with radiative heat transfer predictions. First-principles calculations of fundamental kinetic, thermodynamic, and transport data, along with state-specificmodels for non-equilibrium flow regimes, have also yielded new insights and have the potential to vastly improve model fidelity. Aerosciences is a very broad area of interest in entry systems, yet a number of important challenges are being addressed: Coupled fluid-structure simulations of parachute inflation and dynamics; Experimental and computational studies of vehicle dynamics; Multi-phase flow with dust particles to simulate entry environments at Mars during dust storms; Studies of roughness-induced heating augmentation relevant to tiled and woven thermal protection systems; and Advanced numerical methods to optimize computational analyses for desired accuracy versus cost. Guidance and control in the context of entry systems has focused on development of methods for multi-axis control (i.e. pitch and yaw, rather than bank angle alone) of spacecraft during entry and descent. With precision landing requirements driven by Mars human exploration goals, recent efforts have yielded 6-DOF models of multi-axis control with propulsive descent of both inflatable and rigid ellipsled-like architectures. Results for both configurations have demonstrated the ability to land within the 50-meter precision requirement demanded by Mars human exploration missions, while also reducing propellant requirements by enabling more efficient control through entry and descent. Ongoing research in GN&C is developing mechanical specifications for the systems and establishing engineering feasibility.

aerothermodynamics↗

Near-tip dual-length scale mechanics of mode-I cracking in laminate brittle matrix composites

This paper presents the preliminary results of an on-going study of the near-tip mechanics of mode-I cracking in brittle matrix composite laminates. A finite element model is developed within the context of two competing characteristic lengths present in the composite: the microstructural length (the thickness of the layers) and a macro-length (crack-length, uncracked ligament size, etc.). For various values of the parameters which describe the ratio of these lengths and the constituent properties, the stresses ahead of a crack perpendicular to the laminates are compared with those predicted by assuming the composite is homogeneous orthotropic. The results can be used to determine the conditions for which homogenization can provide a sufficiently accurate description of the stresses in the vicinity of the crack-tip.

Ballarini, R.↗

Multi-Scale Modelling of the Bound Metal Deposition Manufacturing of Ti6Al4V

Nonlinear shrinkage of the metal part during manufacturing by bound metal deposition, both on the ground and under microgravity, is considered. A multi-scale physics-based approach is developed to address the problem. It spans timescales from atomistic dynamics on the order of nanoseconds to full-part shrinkage on the order of hours. This approach enables estimation of the key parameters of the problem, including the widths of grain boundaries, the coefficient of surface diffusion, the initial redistribution of particles during the debinding stage, the evolution of the microstructure from round particles to densely-packed grains, the corresponding changes in the total and chemical free energies, and the sintering stress. The method has been used to predict shrinkage at the levels of two particles, of the filament cross-section, of the sub-model, and of the whole green, brown, and metal parts.

Nonlinear shrinkage↗

Simulation and Scaling of the Turbulent Vertical Heat Transport and Deep-Cycle Turbulence Across the Equatorial Pacific Cold Tongue

Microstructure observations in the Pacific cold tongue reveal that strong turbulence often penetrates into the thermocline producing hundreds of W/m2 of downward heat transport during nighttime and early morning. However, virtually all observations of this deep-cycle turbulence (DCT) are from 0◦N,140◦W. Here, a hierarchy of ocean process simulations including submesoscale-permitting regional models and turbulence-permitting large eddy simulations (LES) embedded in a regional model provide insight into DCT at and beyond 0◦N,140◦W. A regional hindcast quantifies the spatio-temporal variability of subsurface turbulent heat fluxes throughout the cold tongue from 1999-2016. Climatologically, the mean heat flux is strongest (∼100W/m2) within2◦ of the equator. The heat flux is slightly (∼10 W/m2) stronger in the northern than southern hemisphere throughout the cold tongue. The seasonal cycle of the heat flux, which is not everywhere aligned with the surface flux, ranges from 150 W/m2 near the equator to 30 W/m2 and 10 W/m2 at 4◦N and S respectively. Aseasonal variability of turbulent heat fluxes is logarithmically distributed and temporally uncorrelated with surface heat fluxes. The aseasonal variability of turbulence is highlighted in 34-day LES of Boreal autumn at 0◦N and 3◦N,140◦W. Intense DCT occurs frequently above the undercurrent at 0◦N and intermittently at 3◦N. Daily-mean heat fluxes scale with the bulk vertical shear and the wind stress, which together explain ∼90% of the daily variance across both LES. Observational validation of the scaling at 0◦N,140◦W is encouraging, but observations beyond 0◦N,140◦W can facilitate needed refinement of mixing parameterization in ocean models.

Simulation↗

Multi-Scale Modeling of Low-Density Carbon-Phenolic Ablators

Protecting a spacecraft during atmospheric entry is one of highest risk factors that needs to be mitigated during design of a space exploration mission. At entry speeds from space, air turns into high-temperature plasma, and spacecraft Thermal Protection Systems (TPS) are needed to protect the vehicle payload. Modern successful material architectures of spacecraft shields use a porous carbon fiber substrate impregnated with phenolic as an ablator material. In the lecture, efforts to build a Predictive Material Modeling framework for porous ablators from micro-scale to macro-scale will be presented. Several numerical methods and techniques will be summarized that use voxelized images to compute geometrical properties of the porous substrate. These computed properties include porosity, specific surface area and tortuosity that are otherwise indirectly measured through experimental techniques. Direct simulation Monte Carlo (DSMC), a particle-based method for approximating the Boltzmann equation, is used to compute the permeability coefficient of the porous substrate based on its digitized representation. The method computes the flow within the microstructure, where the size of the pores may approach the mean-free-path of the flow. Finally, a high-fidelity model implemented in PATO (Porous-material Analysis Toolbox) is discussed, and some examples of ablative material response are presented, including for the first time 3D simulations of the full tiled heat shield for the Mars Science Laboratory (MSL) capsule.

Ablators↗

Containerless processing of undercooled melts

The investigation focused on the control of microstructural evolution in Mn-Al, Fe-Ni, Ni-V, and Au-Pb-Sb alloys through the high undercooling levels provided by containerless processing, and provided fundamental new information on the control of nucleation. Solidification analysis was conducted by means of thermal analysis, x-ray diffraction, and metallographic characterization on samples processed in a laboratory scale drop tube system. The Mn-Al alloy system offers a useful model system with the capability of phase separation on an individual particle basis, thus permitting a more complete understanding of the operative kinetics and the key containerless processing variables. This system provided the opportunity of analyzing the nucleation rate as a function of processing conditions and allowed for the quantitative assessment of the relevant processing parameters. These factors are essential in the development of a containerless processing model which has a predictive capability. Similarly, Ni-V is a model system that was used to study duplex partitionless solidification, which is a structure possible only in high under cooling solidification processes. Nucleation kinetics for the competing bcc and fcc phases were studied to determine how this structure can develop and the conditions under which it may occur. The Fe-Ni alloy system was studied to identify microstructural transitions with controlled variations in sample size and composition during containerless solidification. This work was forwarded to develop a microstructure map which delineates regimes of structural evolution and provides a unified analysis of experimental observations. The Au-Pb-Sb system was investigated to characterize the thermodynamic properties of the undercooled liquid phase and to characterize the glass transition under a variety of processing conditions. By analyzing key containerless processing parameters in a ground based drop tube study, a carefully designed flight experiment may be planned to utilize the extended duration microgravity conditions of orbiting spacecraft.

Perepezko, J. H.↗

Microscopic Scale Simulation of the Ablation of Fibrous Materials

This slide presentation reviews the ablation by oxidation of carbon-fiber preforms impregnated in carbonized phenolic-formaldehyde matrix is modeled at microscopic scale. Direct numerical simulations show that the matrix ablates in volume leaving the carbon fibers exposed. This is due to the fact that the reactivity of carbonized phenolics is higher than the reactivity of carbon fibers. After the matrix is depleted, the fibers ablate showing progressive reduction of their diameter. The overall material recession occurs when the fibers are consumed. Two materials with the same carbon-fiber preform, density and chemical composition, but with different matrix distributions are studied. These studies show that at moderate temperatures (< 1000K) the microstructure of the material influences its recession rate; a fact that is not captured by current models that are based on chemical composition only. Surprisingly, the response of these impregnated-fiber materials is weakly dependent on the microstructure at very high temperatures (e.g., Stardust peak heating conditions: 3360K).

Lachaud, Jean↗

Towards Integrated Computational Materials Engineering for Quantifying Performance Impacts of Microstructure and Defect Interactions in Powder Bed Fusion Parts

Powder bed fusion (PBF) additive manufacturing (AM) enables the creation of parts with complexity and functionality levels that were previously impossible with traditional manufacturing methods. By modifying the laser power, hatch spacing, or the numerous other processing parameters, the PBF process supports the production of a wide set of materials and geometries. However, that same process parameter design flexibility causes the process-design space of PBF to be massive and expensive to explore experimentally. Another challenge is quality variation across a build. As a part is being built, geometric variance between locations, such as at a thin-wall section vs. the bulk material, may cause the specified processing parameters to no longer be acceptable for producing defect-free printing. Furthermore, if the processing parameters deviate during the print process, it is difficult to assess if the part will still perform satisfactorily. Integrated Computational Materials Engineering (ICME) provides a way to understand and address these various challenges. This talk will present advancements in process-structure simulations of PBF at NASA Langley Research Center. The ability to simulate grain-scale PBF microstructures using the Physically Based Monte Carlo method will be demonstrated and compared to experimental measurements. Techniques for simulating three-dimensional lack-of-fusion and keyhole porosity defects based on the specific processing conditions and approaches for integrating the two porosity prediction techniques alongside the computational microstructure evolution models will be shown. Finally, the integration of simulated PBF microstructures, embedded process defects, and crystal plasticity finite element models to elucidate the interaction of porosity and microstructure on micromechanical fields will be demonstrated. These integrated techniques demonstrate an example of using ICME to relate processing to performance for PBF AM materials. With continued maturity, it is hoped that such ICME approaches will lead to next-generation computational-materials supported qualification and certification of AM parts.

Additive manufacturing↗

Microscopic Scale Simulation of the Ablation of Fibrous Materials

Ablation by oxidation of carbon-fiber preforms impregnated in carbonized phenolic matrix is modeled at microscopic scale. Direct numerical simulations show that the carbonized phenolic matrix ablates in volume leaving the carbon fibers exposed. This is due to the fact that the reactivity of carbonized phenolic is higher than the reactivity of carbon fibers. After the matrix is depleted, the fibers ablate showing progressive reduction of their diameter. The overall material recession occurs when the fibers are consumed. Two materials with the same carbon-fiber preform, density and chemical composition, but with different matrix distributions are studied. These studies show that at moderate temperatures (< 1000 K) the microstructure of the material influences its recession rate; a fact that is not captured by current models that are based on chemical composition only. Surprisingly, the response of these impregnated-fiber materials is weakly dependent on the microstructure at very high temperatures (e.g., Stardust peak heating conditions: 3360K).

Lachaud, Jean Romain↗

Micromechanics Analysis Code (MAC) Developed

The ability to accurately predict the thermomechanical deformation response of advanced composite materials continues to play an important role in the development of these strategic materials. Analytical models that predict the effective behavior of composites are used not only by engineers in performing structural analysis of large-scale composite components but also by material scientists in developing new material systems. For an analytical model to fulfill these two distinct functions, it must be based on a micromechanics approach that uses physically based deformation and life constitutive models, and it must allow one to generate the average (macro) response of a composite material given the properties of the individual constituents and their geometric arrangement. Only then can such a model be used by a material scientist to investigate the effect of different deformation mechanisms on the overall response of the composite and, thereby, identify the appropriate constituents for a given application. However, if a micromechanical model is to be used in a large-scale structural analysis it must be (1) computationally efficient, (2) able to generate accurate displacement and stress fields at both the macro and micro level, and (3) compatible with the finite element method. In addition, new advancements in processing and fabrication techniques now make it possible to engineer the architectures of these advanced composite systems. Full utilization of these emerging manufacturing capabilities require the development of a computationally efficient micromechanics analysis tool that can accurately predict the effect of microstructural details on the internal and macroscopic behavior of composites. Computational efficiency is required because (1) a large number of parameters must be varied in the course of engineering (or designing) composite materials and (2) the optimization of a material's microstructure requires that the micromechanics model be integrated with optimization algorithms. From this perspective, analytical approaches that produce closed-form expressions which describe the effect of a material's internal architecture on the overall material behavior are preferable to numerical methods such as the finite element or finite difference schemes.

Source record↗

Simulation of Etch Pit Formation in DSMC Through Active Sites in Carbon Fiber Micro-Structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation because of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gases such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various detailed surface reaction mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

DSMC Simulation of Etch Pit Formation Through Active Sites in Carbon Fiber Micro-Structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation because of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gases such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various detailed surface reaction mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

The importance of properties in modeling

Casting and welding of superalloys, stainless steel and titanium alloys are processes which can be improved through modeling of heat flow, fluid flow, residual stress development, and microstructural evolution. These simulations require inputs of thermophysical data, some of which involves the partially or totally liquid state. In particular, these processes involve melting, flow in the liquid, and solidification. Modeling of such processes can lead to an improved understanding of defects such as shrinkage, inclusions, cracks, incomplete filling (or penetration), macrosegregation, improper grain structure, and deviations from dimensional specifications. Effective modeling can shorten process development time and improve quality. An approach to these problems is to develop efficient models; validate through correlations with thermal, distortion, and microstructural data; run parametric studies; extract knowledge based rules; and apply to adaptive closed loop control systems. With the appropriate pre- and post-processing, such analyses can be made 'user friendly'. This would include graphical user interfaces as well as realistic images and color maps. In such form, these models can be used for sensitivity analyses, which are useful in defining appropriate sensors and in the development of control strategies. Such modeling can be done at several levels, e.g., the MARO level, modeling large scale phenomena such as heat and fluid flow or material deformation; the MICRO level, modeling the development of dendrites, grains or precipitates; or at the NANO level, modeling point defects, dislocations, stacking faults, etc. There are many computational issues associated with these simulations, e.g. computational efficiency and accuracy. In addition, there are many materials issues, not the least of which is the availability of accurate high temperature thermophysical data for complex alloys. This would include latent heat of fusion, temperature dependent heat capacity and thermal conductivity (for liquid and solid), viscosity, surface tension, thermal expansion, mechanical properties, etc. Preliminary data is frequently gathered from the literature; however, this is often not available for modern alloys. If additional data are required, measurements can be used; however, these are costly, time consuming and can be erroneous due to a lack of testing standards or impure materials. Microstructural predictors can be extracted from thermal information, e.g. cooling rate and thermal gradient; the prediction of microstructure is dependent on solidus and liquidus temperature, mushy zone permeability, the solidification curve, volume changes, phase transformations, alloying effects (such as surface tension or viscosity), mold/metal reactions, metal/environment reactions, etc. Defect maps may be needed to predict the onset of shrinkage, hot cracking or 'freckling'. Constants may be needed for stress relaxation, dendrite coarsening, vaporization, etc. Visualization was used as a tool to better comprehend complex data sets associated with the analysis of directional solidification (including crystal growth) and welding. Examples include not only isotherms, but also cooling rate, growth rate and thermal gradient. The latter two are not single valued scalars, but rather time and space dependent vector fields. Efficient models were developed for both casting and welding to predict heat flow and the relationship to dendrite and grain growth. These codes include many of the non-linear effects, e.g. radiation, which dominate these processes. The home-built FDM code(s) were designed to be useful not only to the scientist, but also to the process engineer. Special output can be requested to compare directly to experimental data. Visualization procedures were developed to visualize critical results, e.g. fusion zone width at the surface opposite that where the arc is applied ('penetration'). Both elaborate and simplified distortion analyses were carried out. It is clear that extensive mechanical property data are critical in order to accurately predict residual stress patterns. A scheme is currently being developed to integrate these modeling tools into a set of control algorithms; however, the success of this approach is critically dependent on the availability of accurate high temperature thermophysical data.

Giamei, A. F.↗

Simulation of etch pit formation through active sites in carbon fiber micro-structures

Erosion of carbon due to oxidation does not occur uniformly but through localized etch pit formation as a result of active surface sites. In this work we demonstrate a newly developed capability to capture pitting of carbon fiber microstructures such as FiberForm, which is commonly used as the base material for NASA’s spacecraft ablative thermal protection systems (TPS). The simulations are performed at the meso-scale in order to capture the pit formation and growth using direct simulation Monte Carlo (DSMC), specifically using the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code. Legacy and latest models both assume uniform reactivity of carbon surface sites with oxygen even at the meso-scale level. However, in reality the carbon surface has locally different reaction rates due to the presence of defects at the atomic scale. The defective nature of these sites enhances their reactivity with atmospheric gases compared to the non-defective sites (2-3 orders of magnitude) and are termed as “active sites”. Thus, these sites tend to be the first to react and eventually get removed through the formation of gasses such as CO, CO2, and CN. Their removal results in all the neighboring atoms becoming defective, thus leading to chain reaction of localized carbon removal and formation of etch pits. Capturing the formation of pits during the ablation simulation of carbon micro-structures is critical to predicting their structural failure. Recently a detailed surface chemistry framework was developed in SPARTA, capable of incorporating various reaction mechanisms such as adsorption, desorption, Eley-Rideal (ER) and Langmuir-Hinshelwood (LH) mechanisms. We have implemented the capability of a single surface having multiple site sets with different reactivities within this framework. We have used this feature to model the presence of active sites on carbon surfaces, whose reactivity is orders of magnitude higher than that of the passive sites due to the presence of defects. The active site fraction is a property of surface elements within SPARTA and is directly proportional to the local reactivity of each surface element. By introducing an initial distribution of the active site fraction across the carbon surface and propagating it in a manner that mimics the evolution of real reacting carbon surfaces, we can capture the formation and growth of etch pits as a result of surface consumption reactions such as oxidation.

DSMC↗

Melt Flow Control in the Directional Solidification of Binary Alloys

Our main project objectives are to develop computational techniques based on inverse problem theory that can be used to design directional solidification processes that lead to desired temperature gradient and growth conditions at the freezing front at various levels of gravity. It is known that control of these conditions plays a significant role in the selection of the form and scale of the obtained solidification microstructures. Emphasis is given on the control of the effects of various melt flow mechanisms on the local to the solidification front conditions. The thermal boundary conditions (furnace design) as well as the magnitude and direction of an externally applied magnetic field are the main design variables. We will highlight computational design models for sharp front solidification models and briefly discuss work in progress toward the development of design techniques for multi-phase volume-averaging based solidification models.

Zabaras, Nicholas↗

Computer Modeling of the Thermal Conductivity of Cometary Ice

The thermal conductivity was found to be only weakly dependent on the microstructure of the amorphous ice. In general, the amorphous ices were found to have thermal conductivities of the same order of magnitude as liquid water. This is in contradiction to recent experimental estimates of the thermal conductivity of amorphous ice, and it is suggested that the extremely low value obtained experimentally is due to larger-scale defects in the ice, such as cracks, but is not an intrinsic property of the bulk amorphous ice.

Bunch, Theodore E.↗

Characterizing the Use of Ultrasonic Energy in Promoting Uniform Microstructural Dispersions in Immiscible Mixtures

Gravity driven separation and preferential wetting precludes uniform microstructural distributions during solidification processing of immiscible, liquid-liquid mixtures. Historically, it is, however, established that liquid/liquid suspensions can be established and maintained by utilizing ultrasound. Following a brief introduction the results of experiments on immiscible mixtures subjected to ultrasonic energy during solidification processing will be compared and evaluated in view of a recently developed mathematical model. The presentation continues by discussion of scaling the model to commercial viability and concludes with the implications of such processing in a microgravity environment.

Grugel, R. N.↗