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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.↗

An Overview of Experiments and Modeling of Polysiloxane-Coated Thermal Protection Systems for Missions to Mars, Titan, and Beyond.

Phenolic Impregnated Carbon Ablator (PICA) gained heritage during the historic Stardust mission, where it successfully returned samples from a comet’s tail and has since been instrumental in delivering payloads to the surface of Mars [1-3]. Most recently, PICA enabled the safe return of samples collected from asteroid Bennu as part of the OSIRIS-REx mission. This rich legacy underscores PICA’s critical role in allowing NASA’s most ambitious exploration missions. However, the friable nature of its phenolic phase presents challenges during handling and pre-launch activities. To mitigate this issue, PICA is coated with a polysiloxane resin system, which serves to suppress particulate dispersion and thereby safeguard spacecraft components. A comprehensive understanding of the polysiloxane resin’s behavior is imperative, as it profoundly shapes the material response of PICA during atmospheric entry by influencing its thermal and oxidative stability. This influence extends to thermocouple plugs embedded within thermal protection systems. These plugs have demonstrated their significance in missions such as Mars Science Laboratory (MSL) and Mars 2020, where the MEDLI and MEDLI2 instrumentation suites delivered in-valuable insights into the performance of thermal protection systems during entry into the Martian atmosphere [4]. Looking ahead, missions such as Dragonfly, set to descend into Titan’s dense atmosphere, aim to leverage advanced sensor technologies to further refine our understanding of thermal protection response [5]. Moreover, thermocouple plugs play an essential role in validating cutting-edge material response models, such as those pioneered under NASA’s Entry Systems Modeling Project (ESM), designed, in-part, to predict the operational integrity of thermal protection systems under the extreme stresses of atmospheric entry. To achieve these modeling goals, ground-based experiments are crucial to provide the foundational data necessary for developing and refining these predictive tools. To this end, an extensive test campaign was conducted at the Hypersonic Materials Environmental Test System (HyMETS) to investigate the high-temperature behavior of the polysiloxane resin in an air environment [6]. These experiments revealed critical phenomena, including the formation of a silicon oxycarbide layer that enhances oxidation resistance, moderates surface temperatures, and alters in-depth thermal response. Building on these findings, subsequent tests were designed to simulate atmospheric entry conditions in reactive gases, such as CO2 and N2, to mimic the environments of Mars and Titan, respectively, as well as non-reactive gases representing the atmospheres of the Ice Giants (Neptune and Uranus). A heating rate dependent decomposition mechanism has been identified for the polysiloxane resin under oxidizing conditions (Fig. 1). In the initial stage, the resin and the underlying thermal protection system undergo pyrolysis, rapidly generating a thin amorphous silicon oxycarbide interwoven with carbonaceous char and residual fibers from PICA. During the second stage, the nascent oxide layer establishes a robust, oxidation-resistant thermal barrier coating, which significantly impedes heat transfer to the underlying carbonaceous char, resulting in a stagnation of the surface temperature. A key factor contributing to this thermal resistance is the low recombination efficiency of atomic oxygen (γ), which further diminishes the heat load on the material’s interior layers [7]. Moreover, as the surface temperature stagnates, the silicon oxycarbide phase separates into distinct regions of silica and free graphite. Ultimately, when the heat flux reaches a critical threshold, a third stage is triggered, leading to the breakdown of the coating through carbothermal reduction, exposing the underlying char layer. This exposure leads to a dramatic surface temperature spike, driven by highly exothermic reactions between atomic oxygen and the char layer, further accelerating material degradation. A detailed mass and heat transfer model of PICA coated with polysiloxane resin was implemented in the Porous material Analysis Toolbox based on OpenFOAM, PATO [8]. The initial stage was considered negligible in this model because the resin decomposition occurs rapidly within a thin surface layer. Instead, the coating was directly considered as an oxygen-resistant thermal barrier coating. For the second stage, the thin amorphous silicon oxycarbide was treated as a pure silica surface to simplify the thermochemical behavior. The model ac-counts for surface equilibrium processes using representative elements of the coating-environment system. For the third stage, specific boundary conditions were developed to estimate the onset and progression of the coating removal. Two-dimensional material response simulations were conducted to compare uncoated and coated PICA using boundary conditions calibrated with HyMETS data. Fig. 2 illustrates that the simulations closely align with experimental data, successfully reproducing measured temperature profiles. This work will include the latest advancements in the coating model, including the calibration of recombination of atomic oxygen at the surface during the second phase. These simulated results will be further validated against additional CO2 data points from HyMETS, reinforcing the models’ predictive capabilities. These mechanisms and their effects on thermal protection systems, including thermochemical behavior and thermocouple probe performance in extreme environments, provide crucial insights for optimizing spacecraft designs that safeguard scientific payload and ensure mission success in future planetary exploration endeavors.

Active Oxidation↗

[Low-Frequency Flow Oscillation

The results of the research conducted under this grant are presented in detail in three Master theses, by Heinrich, Balow, and Broeren. Additional analysis of the experimental data can be found in two AIAA Journal articles and two conference papers. Citations for all of the studies' publications can be found in the bibliography which is attached. The objective of Heinrich's study was to document the low-frequency flow oscillation on the LRN-1007 airfoil, which had been previously observed at low Reynolds number, to determine its origin, and explore the phenomenon at higher Reynolds number. Heinrich performed detailed flow visualization on the airfoil using surface fluorescent oil and laser-sheet off-body visualization. A large leading-edge separation bubble and trailing-edge separation was identified on the airfoil just prior to the onset of the unsteady stall flow oscillation. From the laser-sheet data, the unsteady flow appeared as a massive boundary-layer separation followed by flow reattachment. Hot-wire data were taken in the wake to identify the presence of the flow oscillation and the dominant frequency. The oscillation was found in the flow from a Reynolds number of 0.3 to 1.3 x 10 exp 6. The Strouhal number based on airfoil projected height was nominally 0.02 and increased slightly with increasing Reynolds number and significantly with increasing airfoil angle of attack. Balow focused his research on the leading-edge separation bubble which was hypothesized to be the origin of the low-frequency oscillation. Initially, experimental measurements in the bubble at the onset of the low-frequency oscillation were attempted to study the characteristics of the bubble and explain possible relationships to the shear-layer-flapping phenomena. Unfortunately, the bubble proved to be extremely sensitive to the probe interference and it drastically reduced the size of the bubble. These detailed measurements were then abandoned by Balow. However, this led to a series of tests where the leading-edge bubble and trailing-edge separation were altered and the affect on the flow-oscillation studied. Balow found that by tripping the airfoil boundary-layer with "zigzag" tape ahead of bubble separation, the bubble was effectively eliminated mid the oscillation suppressed. Wake survey drag measurements showed a drastic reduction in airfoil drag when the bubble and oscillation were eliminated. Using the "zigzag" tape, the trailing-edge separation was moved downstream approximately 5 percent chord. This was found to reduce the amplitude of the oscillation, particularly in the onset stage at low angle of attack (around 14 degrees). Through detailed analysis of the wake behind the airfoil during the unsteady flow oscillation, Balow provided a better understanding of the wake flowfield. Broeren studied the oscillating flowfield in detail at Reynolds number equal 3 x 10 exp 5 and an angle of attack of 15 degrees using laser Doppler velocimetry (LDV). Two-dimensional LDV data were acquired at 687 grid points above the model upper surface while hot-wire data were taken simultaneously in the wake. Using the hot-wire signal, the LDV data were phase averaged into 24 bins to represent a single ensemble average of one oscillation cycle. The velocity data showed a flowfield oscillation that could be divided into three flow regimes. In the first regime, the flow over the airfoil was completely separated initially, the flowfield reattached from the leading edge and the reattachment point moved downstream with increasing time or phase. Broeren referred to this as the reattachment regime. The bubble development regime followed, where a leading-edge separation bubble formed at the leading edge and grew with increasing time. During the initial part of this regime the trailing-edge separation continued to move downstream. However, during the last 30 degrees of phase the trailing-edge separation moved rapidly forward and appeared to merge with the leading-edge bubble. During the third regime, the separation regime, the flow was segmented from the airfoil leading edge and did not reattach to the airfoil surface. The reverse flow was seen to grow in vertical extent up from the model surface as the phase increased. Next reattachment began again at the leading edge signaling the start of the reattachment regime, and so the cycle continued. From Broeren's work, the details of the unsteady flowfield over the airfoil were seen for the first time. From this research a great deal has been learned about the low-frequency flow oscillation which naturally occurs on the LRN-1007 airfoil near stall. The oscillation was seen to persist at higher Reynolds number, the dependence of the Strouhal number on angle of attack and Reynolds number were discovered, the critical role played by the laminar bubble was shown and the entire upper surface flowfield during a flow oscillation cycle was measured and analyzed. What still eludes understanding is the scaling of the flow oscillation and why certain airfoils, such as the LRN, have a very strong low-frequency mode and other airfoils exhibit no organized low-frequency oscillation at all.

Bragg, Michael B.↗