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Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO). PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Material Response↗

Recent Advancements in the PATO Material Response Code

Introduction: Predicting the complicated multiphysics phenomena during atmospheric entry requires high-fidelity modeling tools to refine estimates of mission risks during entry. To this end, new capabilities are being added to the Porous-material Analysis Toolbox based on OpenFOAM (PATO) [1,2,3]. PATO is an open-source software for Computational Material Response (CMR) of reactive porous materials submitted to high-temperature environments. The objective of this work is to highlight current efforts to add to and improve upon the modeling capabilities of PATO. These include efforts to loosely couple PATO with other discipline specialized codes including hypersonic Computational Fluid Dynamics (CFD), to assess the interaction effects between pyrolysis gas blowing and the boundary layer, and Computational Solid Mechanics (CSM), to address modeling of mechanical erosion. Other refinements include surface phenomena modeling capabilities to address the effects of silicone-based coatings applied to the TPS during flight preparation, and a unified multiphase solver for a mixed porous-material and plain-fluid domain. Coupling CMR with CFD (CMR/CFD): A loose coupling between PATO and the Data Parallel Line Relaxation (DPLR) [4] CFD code has been achieved by making use of a blowing boundary condition at the heatshield surface available in DPLR. Starting with heat flux estimates with no pyrolysis gas blowing at the surface, blowing gases are computed by the CMR and passed to the CFD such that aerothermal properties of the environment can be recomputed for a new CMR computation. This leads to an iterative process which is supplemented with an estimate of the radiative heat flux using the Nonequilibrium air radiation (NEQAIR) [5] program. The entire iterative process is illustrated in Figure 1. This coupling strategy has been utilized in computing the MSL material response. The goal is to compare the coupled CMR/CFD results with material response results obtained using traditional blowing corrections. Coupling CMS with CMR: A mechanical erosion model is currently being implemented in PATO to account for the additional mass removal induced by high shear conditions. The modeling process at each timestep consists of updating the mechanical properties as a function of temperature and computing the stress tensor and displacement fields of the material. Then, a failure criteria model determines the regions in which the stress exceeds the ultimate strength values resulting in mesh movement to account for mass removal. This model allows the material response simulation to compute the recession due to both oxidation and shear-induced erosion. The model is demonstrated by computing material response of sphere-cone arc jet samples. Surface Modeling Capabilities: NuSil, a silicone-based coating, was sprayed onto the MSL and Mars 2020 heatshields to mitigate shedding of phenolic dust. To better understand the effects of the NuSil coating on the material response, a novel model has been implemented in PATO. In this model, the equilibrium of the charred NuSil surface is modeled as pure silica, and a constant offset, inspired by the classical spallation model, is added to the the char blowing rate and wall enthalpy to reproduce HyMETS experimental results. The model has also been used to estimate the 3D material response of the MSL heatshield [6]. Unified Solver: In addition to the iterative loose coupling approach mentioned above, a multiphase unified solver is being developed to couple the environment (plain-fluid phase) and the porous-material phase. The solver is based on the volume averaged conservation of mass, momentum, and energy for the macroscale with closure models which include microscale effects through effective physicochemical properties. The unified solver has been used to compute flow through a porous plug and solve the Beavers and Joseph problem [7]. Since the strong coupling between phases is inherent to this solver, modeling assumptions present in other coupling methods of material response are mitigated. This strategy also makes it feasible to capture the competition between surface and volume ablation in the same computational domain, which is usually not possible with other coupling approaches.

Thermal Protection Systems↗

Investigation of the Ignition and Burning of Materials in Space Cabin Atmospheres. Part 1: Ignition and Burning of Material

An analytical study of the theory of ignition and burning of a plastic material immersed in an atmosphere of a space cabin which may be subjected to gravity force changes is considered. The hazardous condition in a space cabin environment where the changes of gravity may effect the combustion process is evaluated. The model considered the analysis of the coupled gas and solid phases and is based on the premise that material heating leads to the formation of pyrolysis gases from the decomposed solid which then react with the ambient oxidizer to further the combustion process. Moreover, free convection plays a dominant role in transporting these hot gases to the virgin material. A time-dependent study of the coupled gas-solid model as required for ignition processes with emphasis on the surface energy interchange of the gas and solid phases has been made. Detailed distribution of species composition and temperature patterns provide a spatial and time map of the evolving gases from the material combustion.

Lew, H. G.↗

Nebular volatile fractionations associated with chondrule formation

Chondrules are ubiquitous constituents of primitive solar system matter, indicating that chondrule formation was an important and widespread process in the early history of the solar system. If chondrules formed from fine grained CI like precursors, some volatile fractionation must have accompanied chondrule formation. This is not likely related to a separation of chondrules from gas (and dust, fine enough to be coupled to gas) shortly after formation, a process required by most models of chondrule formation. If chondrules are continuously formed in and removed from a region of the solar nebula, the chemical environment in this region will change. Vaporization of solid increases both oxygen and sulfur in the gas relative to H. Depending on the oxygen/sulfur ratio, which may vary widely as a function of precursor composition and temperature, two cases can be distinguished: (1) sulfur requires reaction with solid to condense, and thus may become much more enriched than 0; (2) if a significant amount of silicate is vaporized together with sulfides and does not recondense, changes in H/O outweigh S enrichment. In combination, these two effects may be able to account for much of the chemical variation among various types of chondrites. Opaque, fine grained matrix in unequilibrated chondrites, which is thought to derive from dust, has indeed been found to have a volatile element abundance complementary to chondrules.

Kracher, A.↗

Interactions of coupled acoustic and vortical instability

In the past, the acoustic combustion instability was studied independently of the hydrodynamic instability induced by vortex motions. This paper is intended to combine the two different sources of energy everywhere within the spatial domain and determine the effect of one upon the other. This can be achieved by calculating the mean flow velocities and vorticities and their fluctuating parts of velocities and vortices, as well as the fluctuating pressure. The Orr-Sommerfeld equation is utilized to determine the wavenumbers and unsteady stream functions from which vortically coupled acoustic instability growth constants are calculated. This process demonstrates that there are two different frequencies, acoustic and hydrodynamic, various combinations of which contribute to either damping or amplification. It is found that stability boundaries for coupled acoustic and vortical oscillations are somewhat similar to the classical hydrodynamic stability boundaries, but they occur in the form of multiple islands.

Chung, T. J.↗

Atomic data for opacity calculations. XI - The carbon isoelectronic sequence

Close-coupling calculations are carried out for radiative processes in neutral carbon and a number of carbon-like ions; energy levels, oscillator strengths, and photoionization cross sections have been computed for all bound states of the type 2 s(j)2p(k)nl with n not above 10 and 1 not above 3. The R-matrix method is employed to solve the coupled equations with a ten-state eigenfunction expansion for the parent ion C II and an eight-state expansion for the other boron-like target ions. A number of selected results for oscillator strengths are presented and compared with earlier data, as well as for photoionization cross sections with autoionizing resonance structures. Isoelectronic trends are discussed. The present results for the oscillator strengths of C I and N II are found to differ significantly from some earlier theoretical works for a number of transitions. However, the present C I f values are in excellent agreement with recent calculations and experimental results.

Luo, D.↗

Unified Models of Turbulence and Nonlinear Wave Evolution in the Extended Solar Corona and Solar Wind

The paper discusses the following: 1. No-cost Extension. The no-cost extension is required to complete the work on the unified model codes (both hydrodynamic and kinetic Monte Carlo) as described in the initial proposal and previous annual reports. 2. Scientific Accomplishments during the Report Period. We completed a comprehensive model of Alfvtn wave reflection that spans the full distance from the photosphere to the distant heliosphere. 3. Comparison of Accomplishments with Proposed Goals. The proposal contained two specific objectives for Year 3: (1) to complete the unified model code, and (2) to apply it to various kinds of coronal holes (and polar plumes within coronal holes). Although the anticipated route toward these two final goals has changed (see accomplishments 2a and 2b above), they remain the major milestones for the extended period of performance. Accomplishments la and IC were necessary prerequisites for the derivation of "physically relevant transport and mode-coupling terms" for the unified model codes (as stated in the proposal Year 3 goals). We have fulfilled the proposed "core work" to study 4 general types of physical processes; in previous years we studied turbulence, mode coupling (Le., non-WKB reflection), and kinetic wave damping, and accomplishment lb provides the fourth topic: nonlinear steepening.

Wagner, William↗

Chemical Thinning Process for Fabricating UV-Imaging CCDs

The thinning stage of the postfabrication process reported in the immediately preceding article is notable in its own right. Although the thinning process was described in the preceding article as part of an overall process of fabrication of a supported charge-coupled device (CCD), it is more generally applicable to both free-standing and supported devices that have been fabricated in die and wafer formats. Like the thermocompression bonding process described in the preceding article, the thinning process is compatible with CCD-fabrication processes, as well as postfabrication processes that enhance the response of CCDs to ultraviolet (UV) light, including the delta-doping process. CCDs that are thinned by this process and then delta-doped exhibit high quantum efficiencies that are stable with time and with exposure to the environment.

Jones, TOdd↗

A three-D circulation model study of the radiative-dynamic coupling within the stratosphere

The role of radiative transfer processes in the general circulation of the stratosphere was studied by comparing the thermal and dynamical structure of the stratosphere as simulated by two controlled numerical experiments performed with the aid of a spectral 3-dimensional quasi-geostrophic circulation model. In the first experiment, a detailed radiative transfer model is employed to treat the longwave radiative transfer in the stratosphere. In the second experiment, longwave radiative transfer is accounted for by employing the Newtonian cooling approximation. It is found that the exchange of longwave radiation between the troposphere and lower stratosphere has a net heating effect on the lower stratosphere. It is shown that this heating effect contributes partly to the maintenance of the warm high-latitude belt in the lower stratosphere during winter and spring seasons. The strong temperature dependence of the Newtonian cooling coefficient plays an important role in determining the zonal temperatures and has a significant influence on the transmissivity of stratosphere to propagating planetary scale waves.

Ramanathan, V.↗

Modelling of auroral electrodynamical processes: Magnetosphere to mesosphere

Research conducted on auroral electrodynamic coupling between the magnetosphere and ionosphere-atmosphere in support of the development of a global scale kinetic plasma theory is reviewed. Topics covered include electric potential structure in the evening sector; morning and dayside auroras; auroral plasma formation; electrodynamic coupling with the thermosphere; and auroral electron interaction with the atmosphere.

Chiu, Y. T.↗

Partitioning And Packing Equations For Parallel Processing

Algorithm developed to identify parallelism in set of coupled ordinary differential equations that describe physical system and to divide set into parallel computational paths, along with parts of solution proceeds independently of others during at least part of time. Path-identifying algorithm creates number of paths consisting of equations that must be computed serially and table that gives dependent and independent arguments and "can start," "can end," and "must end" times of each equation. "Must end" time used subsequently by packing algorithm.

Arpasi, Dale J.↗

The Southern Ocean Carbon and Climate Observations and Modeling (SOCCOM) Project: A Review

The Southern Ocean serves as the primary gateway through which the intermediate, deep, and bottom waters of the ocean interact with the surface ocean (and thus the atmosphere), and it has a profound influence on the oceanic uptake of anthropogenic carbon and heat as well as nutrient resupply from the abyss to the surface. Yet it has been the least observed and understood region of the world ocean. The Southern Ocean Carbon and Climate Observations and Modeling (SOCCOM) project was implemented in 2014 with a goal to help remedy this deficit in observations and understanding. The SOCCOM project is based on two major advances that have the potential to transform understanding of the Southern Ocean. The first is the development of new biogeochemical sensors mounted on autonomous profiling floats that allow sampling of ocean biogeochemistry in 3-dimensional space. Floats may detect processes with a temporal resolution that ranges from hours to years. The second is that the climate modeling community finally has the computational resources and physical understanding to develop fully coupled climate models that can represent crucial, mesoscale processes in the Southern Ocean, as well as corresponding models that assimilate observations to produce a state estimate. The observational component, based on deployment of profiling floats with oxygen, nitrate, pH and bio-optical sensors, is generating vast amounts of new biogeochemical data that provide a year-round view of the Southern Ocean from the surface to 2000 m. The modeling effort is applying these observations and enhancing our understanding of the current ocean, and reducing uncertainty in projections of future carbon and nutrient cycles and climate. After nine years of operation, including a project renewal in the sixth year, the SOCCOM project has deployed more than 260 profiling floats. These floats have collected over 27,000 vertical profiles throughout the Southern Ocean. A data-assimilating biogeochemical state estimate model has been implemented. Here, the design of the SOCCOM project is reviewed and the scientific results that have been obtained are described. The project’s capability to help meet the observing system priorities outlined for a notional UN Decade for Ocean Sciences Southern Ocean observing system is assessed.

Jorge L. Sarmiento↗

Numerical Modeling of Unsteady Thermofluid Dynamics in Cryogenic Systems

A finite volume based network analysis procedure has been applied to model unsteady flow without and with heat transfer. Liquid has been modeled as compressible fluid where the compressibility factor is computed from the equation of state for a real fluid. The modeling approach recognizes that the pressure oscillation is linked with the variation of the compressibility factor; therefore, the speed of sound does not explicitly appear in the governing equations. The numerical results of chilldown process also suggest that the flow and heat transfer are strongly coupled. This is evident by observing that the mass flow rate during 90-second chilldown process increases by factor of ten.

Majumdar, Alok↗

OV and hard X-rays, observations and model calculations

An amalgamation of two published works that discuss the observation and theoretical calculations of OV (T approx. 250,000K) and Hard X-rays (30 to 100keV) emitted during flares are presented. The papers are by Poland et al (1984) and Mariska and Poland (1985). The observations of Hard X-rays and OV show that the excitation processes for each type of emission are closely coupled. Except for small differences the two types of emission rise and fall together during a flare. Model calculations are able to reproduce this behavior to a large extent, only when conductive processes do not dominate the energy transport processes.

Poland, A. I.↗

Sensitivity Equation Derivation for Transient Heat Transfer Problems

The focus of the paper is on the derivation of sensitivity equations for transient heat transfer problems modeled by different discretization processes. Two examples will be used in this study to facilitate the discussion. The first example is a coupled, transient heat transfer problem that simulates the press molding process in fabrication of composite laminates. These state equations are discretized into standard h-version finite elements and solved by a multiple step, predictor-corrector scheme. The sensitivity analysis results based upon the direct and adjoint variable approaches will be presented. The second example is a nonlinear transient heat transfer problem solved by a p-version time-discontinuous Galerkin's Method. The resulting matrix equation of the state equation is simply in the form of Ax = b, representing a single step, time marching scheme. A direct differentiation approach will be used to compute the thermal sensitivities of a sample 2D problem.

Hou, Gene↗

Concurrent optimization of airframe and engine design parameters

An integrated system for the multidisciplinary analysis and optimization of airframe and propulsion design parameters is being developed. This system is known as IPAS, the Integrated Propulsion/Airframe Analysis System. The traditional method of analysis is one in which the propulsion system analysis is loosely coupled to the overall mission performance analysis. This results in a time consuming iterative process. First, the engine is designed and analyzed. Then, the results from this analysis are used in a mission analysis to determine the overall aircraft performance. The results from the mission analysis are used as a guide as the engine is redesigned and the entire process repeated. In IPAS, the propulsion system, airframe, and mission are closely coupled. The propulsion system analysis code is directly integrated into the mission analysis code. This allows the propulsion design parameters to be optimized along with the airframe and mission design parameters, significantly reducing the time required to obtain an optimized solution.

Lavelle, Thomas M.↗

Concurrent optimization of airframe and engine design parameters

An integrated system for the multidisciplinary analysis and optimization of airframe and propulsion design parameters is being developed. This system is known as IPAS, the Integrated Propulsion/Airframe Analysis System. The traditional method of analysis is one in which the propulsion system analysis is loosely coupled to the overall mission performance analysis. This results in a time consuming iterative process. First, the engine is designed and analyzed. Then, the results from this analysis are used in a mission analysis to determine the overall aircraft performance. The results from the mission analysis are used as a guide as the engine redesigned and the entire process repeated. In IPAS, the propulsion system, airframe, and mission are closely coupled. The propulsion system analysis code is directly integrated into the mission analysis code. This allows the propulsion design parameters to be optimized along with the airframe and mission design parameters, significantly reducing the time required to obtain an optimized solution.

Lavelle, Thomas M.↗

Design and Analysis of a Formation Flying System for the Cross-Scale Mission Concept

The ESA-funded "Cross-Scale Technology Reference Study has been carried out with the primary aim to identify and analyse a mission concept for the investigation of fundamental space plasma processes that involve dynamical non-linear coupling across multiple length scales. To fulfill this scientific mission goal, a constellation of spacecraft is required, flying in loose formations around the Earth and sampling three characteristic plasma scale distances simultaneously, with at least two satellites per scale: electron kinetic (~10 km), ion kinetic (~100-2000 km), magnetospheric fluid (~3000-15000 km). The key Cross-Scale mission drivers identified are the number of S/C, the space segment configuration, the reference orbit design, the transfer and deployment strategy, the inter-satellite localization and synchronization process and the mission operations. This paper presents a comprehensive overview of the mission design and analysis for the Cross-Scale concept and outlines a technically feasible mission architecture for a multi-dimensional investigation of space plasma phenomena. The main effort has been devoted to apply a thorough mission-level trade-off approach and to accomplish an exhaustive analysis, so as to allow the characterization of a wide range of mission requirements and design solutions.

Cornara, Stefania↗