SIMULATING RESIDUAL STRESSES IN SIMPLE MULTI-MATERIAL COMPOSITE STRUCTURES.
Abstract not provided.
Hanson, Alexander Anthony↗
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Simulating Residual Stresses in Simple Multi-Material Composite Structures.
Abstract not provided.
Hanson, Alexander Anthony↗
Hydrogen bonding structure of confined water templated by a metal-organic framework with open metal sites
Abstract Water in confinement exhibits properties significantly different from bulk water due to frustration in the hydrogen-bond network induced by interactions with the substrate. Here, we combine infrared spectroscopy and many-body molecular dynamics simulations to probe the structure and dynamics of confined water as a function of relative humidity within a metal-organic framework containing cylindrical pores lined with ordered cobalt open coordination sites. Building upon the agreement between experimental and theoretical spectra, we demonstrate that water at low relative humidity binds initially to open metal sites and subsequently forms disconnected one-dimensional chains of hydrogen-bonded water molecules bridging between cobalt atoms. With increasing relative humidity, these water chains nucleate pore filling, and water molecules occupy the entire pore interior before the relative humidity reaches 30%. Systematic analysis of rotational and translational dynamics indicates heterogeneity in this pore-confined water, with water molecules displaying variable mobility as a function of distance from the interface.
Science & Technology - Other Topics↗
Experimental Robust Control of Structural Acoustic Radiation
This work addresses the design and application of robust controllers for structural acoustic control. Both simulation and experimental results are presented. H(infinity) and mu-synthesis design methods were used to design feedback controllers which minimize power radiated from a panel while avoiding instability due to unmodeled dynamics. Specifically, high order structural modes which couple strongly to the actuator-sensor path were poorly modeled. This model error was analytically bounded with an uncertainty model, which allowed controllers to be designed without artificial limits on control effort. It is found that robust control methods provide the control designer with physically meaningful parameters with which to tune control designs and can be very useful in determining limits of performance. Experimental results also showed, however, poor robustness properties for control designs with ad-hoc uncertainty models. The importance of quantifying and bounding model errors is discussed.
Cox, David E.↗
Spiky electric and magnetic field structures in flux rope experiments
Magnetic flux ropes are structures that are common in the corona of the sun and presumably all stars. They can be thought of as the building blocks of solar structures. They have been observed in Earth’s magnetotail and near Mars and Venus. When multiple flux ropes are present magnetic field line reconnection, which converts magnetic energy to other forms, can occur when they collide. The structure of multiple magnetic ropes, the interactions between multiple ropes, and their topological properties such as helicity and writhing have been studied theoretically and in laboratory experiments. In this paper, we report on spiky potential and magnetic fields associated with the ropes. We show that the potential structures are chaotic for a range of their temporal half-widths and the probability density function (PDF) of their widths resembles the statistical distribution of crumpled paper. The spatial structure of the magnetic spikes is revealed using a correlation counting method. Computer simulation suggests that the potential structures are the nonlinear end result of an instability involving relative drift between ions and electrons.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Construction and control of large space structures
Recent NASA research efforts on space construction are reviewed. Preliminary results of the EASE/ACCESS Shuttle experiments are discussed. A 45-foot beam was constructed on orbit in 30 minutes using a manual assembly technique at a work station. A large tetrahedron was constructed several times using a free floating technique. The capability of repair, utilities installation, and handling the structures using a mobile foot restraint on the RMS was also demonstrated. Implications of the experiments for space station are presented. Models of 5-meter space station structure together with neutral buoyancy simulations suggest manual assembly techniques are feasible. Selected research on control of flexible structures is discussed.
Card, M. F.↗
Construction and control of large space structures
Recent NASA research efforts on space construction are reviewed. Preliminary results of the EASE/ACCESS Shuttle experiments are discussed. A 45-foot beam was constructed on orbit in 30 minutes using a manual assembly technique at a work station. A large tetrahedron was constructed several times using a free floating technique. The capability of repair, utilities installation, and handling the structures using a mobile foot restraint on the RMS was also demonstrated. Implications of the experiments for Space Station are presented. Models of 5-meter Space Station structure together with neutral buoyancy simulations suggest manual assembly techniques are feasible. Selected research on control of flexible structures is discussed. To support planned flight experiments, studies of the design and optimal placement of distributed active dampers are underway.
Card, M. F.↗
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↗
Challenges to Computational Aerothermodynamic Simulation and Validation for Planetary Entry Vehicle Analysis
Challenges to computational aerothermodynamic (CA) simulation and validation of hypersonic flow over planetary entry vehicles are discussed. Entry, descent, and landing (EDL) of high mass to Mars is a significant driver of new simulation requirements. These requirements include simulation of large deployable, flexible structures and interactions with reaction control system (RCS) and retro-thruster jets. Simulation of radiation and ablation coupled to the flow solver continues to be a high priority for planetary entry analyses, especially for return to Earth and outer planet missions. Three research areas addressing these challenges are emphasized. The first addresses the need to obtain accurate heating on unstructured tetrahedral grid systems to take advantage of flexibility in grid generation and grid adaptation. A multi-dimensional inviscid flux reconstruction algorithm is defined that is oriented with local flow topology as opposed to grid. The second addresses coupling of radiation and ablation to the hypersonic flow solver - flight- and ground-based data are used to provide limited validation of these multi-physics simulations. The third addresses the challenges of retro-propulsion simulation and the criticality of grid adaptation in this application. The evolution of CA to become a tool for innovation of EDL systems requires a successful resolution of these challenges.
Gnoffo, Peter A.↗
Challenges to Computational Aerothermodynamic Simulation and Validation for Planetary Entry Vehicle Analysis
Challenges to computational aerothermodynamic (CA) simulation and validation of hypersonic flow over planetary entry vehicles are discussed. Entry, descent, and landing (EDL) of high mass to Mars is a significant driver of new simulation requirements. These requirements include simulation of large deployable, flexible structures and interactions with reaction control system (RCS) and retro-thruster jets. Simulation of radiation and ablation coupled to the flow solver continues to be a high priority for planetary entry analyses, especially for return to Earth and outer planet missions. Three research areas addressing these challenges are emphasized. The first addresses the need to obtain accurate heating on unstructured tetrahedral grid systems to take advantage of flexibility in grid generation and grid adaptation. A multi-dimensional inviscid flux reconstruction algorithm is defined that is oriented with local flow topology as opposed to grid. The second addresses coupling of radiation and ablation to the hypersonic flow solver--flight- and ground-based data are used to provide limited validation of these multi-physics simulations. The third addresses the challenges of retro-propulsion simulation and the criticality of grid adaptation in this application. The evolution of CA to become a tool for innovation of EDL systems requires a successful resolution of these challenges.
Gnoffo, Peter A.↗
Hardware-in-the-Loop Simulation of a Distribution System with Air Conditioners under Model Predictive Control: Preprint
Many have proposed that responsive load provided by distributed energy resources (DERs) and demand response (DR) are an option to provide flexibility to the grid and especially to distribution feeders. However, because responsive load involves a complex interplay between tariffs and DER and DR technologies, it is challenging to test and evaluate options without negatively impacting customers. This paper describes a hardware-in-the-loop (HIL) simulation system that has been developed to reduce the cost of evaluating the impact of advanced controllers (e.g., model predictive controllers) and technologies (e.g., responsive appliances). The HIL simulation system combines large-scale software simulation with a small set of representative building equipment hardware. It is used to perform HIL simulation of a distribution feeder and the loads on it under various tariff structures. In the reported HIL simulation, loads include many simulated air conditioners and one physical air conditioner. Independent model predictive controllers manage operations of all air conditioners under a time-of-use tariff. Results from this HIL simulation and a discussion of future development work of the system are presented.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Detonation structure in the presence of mixture stratification using reaction-resolved simulations
Many investigations of detonation-based combustors have identified reactant mixture inhomogeneity as having a leading-order impact on wave dynamics and combustion efficiency. To examine this phenomenon in a simplified context, an array of two- and three-dimensional channel detonation simulations are conducted in the present work. The reactant mixture consists of stratified fuel and air, wherein the randomly distributed equivalence ratio field features a characteristic stratification length scale. Detailed chemical kinetics are implemented in an adaptive mesh refinement solution framework where the region near the shock front is resolved with Ο (100) cells per representative ZND induction length. The results show that in comparison to baseline cases with uniform reactant mixtures, reactant stratification has a marked impact on the detonation structure. Increasing the stratification length scale increases the size and irregularity of the detonation cells, yielding larger variations in wave speed. Triple point collisions in fuel-rich regions lead to local wave speeds above the notional mean CJ speed, but wave passage through inert regions causes the local wave speed and strength to diminish. Further, conditional statistics show that increasing the stratification length scale increases the variance in pressure and temperature in the primary reaction zone, as well as the variance in heat release over a range of mixture conditions. In addition to the reactant mixture, the impact of the boundary condition behind the detonation is also investigated. The results show that an inflow boundary condition acts to over-drive the wave, leading to higher peak pressures, smaller detonation cells, and increased reactant consumption. On the other hand, cases with a wall behind the wave exhibit weaker waves with lower peak pressures and heat release rates, as well as greater variance in conditional quantities. Comparisons between complementary two- and three-dimensional simulations show reasonable qualitative agreement in wave structure, speed, and conditional statistics.
42 ENGINEERING↗
Integrated Computational Materials and Mechanical Modeling for Additive Manufacturing of Alloys with Graded Structure Used in Fossil Fuel Power Plants
Wire-arc additive manufacturing (WAAM) has demonstrated its unique capability of producing large-size alloy components with a significantly reduced fabrication time and enhanced geometry design freedom. In this project, the team has developed an ICME (Integrated Computational Materials Engineering) modeling framework, which supports the WAAM of the AUSC (Advanced Ultra-Supercritical) power plant components. The manufacturing design has been applied to Inconel 740H, steel P91, as well as the dissimilar alloy components between steel P91 and Inconel 740H. The ICME model framework is developed by considering two types of modeling. First, mechanistic modeling has been applied to control the printing quality and understand the sequence of the dissimilar printing of the wall structure. The following models have been included in the developed ICME framework: finite element thermal model, grain structure model, residual stress simulation, crystal plasticity model, CALPHAD-based precipitation kinetic model, phase stability prediction, thermal expansion predictive model, and heuristic creep model. Secondary, a physics-based machine learning model has also been developed based on the ICME model structure. The machine learning model development is based on the ICME model prediction with calibration of the experiments. In addition, the WAAM has been utilized as a high-throughput experimental tool rapidly generating a gradient of alloy composition to facilitate experimental database generation for process-structure-property relationships. Such a database directly supported the ICME-enhanced machine learning, which further assisted in intermediate composition block design between P91 and 740H. A high-throughput screening study of the oxidation resistance has been performed based on such high-throughput experimentation. Based on the computational design, several dissimilar alloy manufacturing with post-heat treatment have been performed with a comprehensive evaluation of mechanical performance, including hardness mapping, yield strength, creep resistance. In this project, the single component of P91 and 740H processed by WAAM after heat treatment designed by ICME has demonstrated higher performance in yield strength and creep resistance than the wrought materials. The P91 sample prepared by WAAM with ICME-designed heat treatment performs better than P92 in creep resistance. The designed graded alloy printing with intermediate block shows a promising performance that exceeds the traditional welding. Moreover, the current research indicates the high need for location-specific design analysis with uncertainty quantification, an important topic that deserves more dedicated research. The achievement of this project demonstrated the promising future of WAAM in structural alloy manufacturing for energy power plant development. Successful printing requires synergetic efforts made by manufacturing, mechanical, and materials sciences.
20 FOSSIL-FUELED POWER PLANTS↗
Transient thermal-structural analysis using adaptive unstructured remeshing and mesh movement
An adaptive unstructured remeshing technique is applied to transient thermal-structural analysis. The effectiveness of the technique, together with the finite element method and an error estimation technique, is evaluated by two applications which have exact solutions: (1) the steady-state thermal analysis of a plate subjected to a highly localized surface heating, and (2) the transient thermal-structural analysis of a simulated convectively cooled leading edge subjected to a translating heat source. These applications demonstrate that the remeshing technique significantly reduces the problem size as well as the analysis solution error as compared to the results produced using standard structured meshes.
Dechaumphai, Pramote↗
Recognition and characterization of hierarchical interstellar structure. II - Structure tree statistics
A new method of image analysis is described, in which images partitioned into 'clouds' are represented by simplified skeleton images, called structure trees, that preserve the spatial relations of the component clouds while disregarding information concerning their sizes and shapes. The method can be used to discriminate between images of projected hierarchical (multiply nested) and random three-dimensional simulated collections of clouds constructed on the basis of observed interstellar properties, and even intermediate systems formed by combining random and hierarchical simulations. For a given structure type, the method can distinguish between different subclasses of models with different parameters and reliably estimate their hierarchical parameters: average number of children per parent, scale reduction factor per level of hierarchy, density contrast, and number of resolved levels. An application to a column density image of the Taurus complex constructed from IRAS data is given. Moderately strong evidence for a hierarchical structural component is found, and parameters of the hierarchy, as well as the average volume filling factor and mass efficiency of fragmentation per level of hierarchy, are estimated. The existence of nested structure contradicts models in which large molecular clouds are supposed to fragment, in a single stage, into roughly stellar-mass cores.
Houlahan, Padraig↗
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↗
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.↗
Active site plasticity and possible modes of chemical inhibition of the human DNA deaminase APOBEC3B
The single-stranded DNA cytosine deaminase APOBEC3B (A3B) functions in innate immunity against viruses, but it is also strongly implicated in eliciting mutations in cancer genomes. Because of the critical role of A3B in promoting virus and tumor evolution, small molecule inhibitors are desirable. However, there is no reported structure for any of the APOBEC3-family enzymes in complex with a small molecule bound in the active site, which hampers the development of small molecules targeting A3B. Here we report high-resolution structures of an active A3B catalytic domain chimera with loop 7 residues exchanged with those from the corresponding region of APOBEC3G (A3G). The structures reveal novel open conformations lacking the catalytically essential zinc ion, with the highly conserved active site residues extensively rearranged. These inactive conformations are stabilized by 2-pyrimidone or an iodide ion bound in the active site. Molecular dynamics simulations corroborate the remarkable plasticity of the engineered active site and identify key interactions that stabilize the native A3B active site. These data provide insights into A3B active site dynamics and suggest possible modes of its inhibition by small molecules, which would aid in rational design of selective A3B inhibitors for constraining virus and tumor evolution.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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