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At least 343 records · Page 19

Nuclear modules for space electric propulsion

Analysis of interplanetary cargo and piloted missions requires calculations of the performances and masses of subsystems to be integrated in a final design. In a preliminary and scoping stage the designer needs to evaluate options iteratively by using fast computer simulations. The Oak Ridge National Laboratory (ORNL) has been involved in the development of models and calculational procedures for the analysis (neutronic and thermal hydraulic) of power sources for nuclear electric propulsion. The nuclear modules will be integrated into the whole simulation of the nuclear electric propulsion system. The vehicles use either a Brayton direct-conversion cycle, using the heated helium from a NERVA-type reactor, or a potassium Rankine cycle, with the working fluid heated on the secondary side of a heat exchanger and lithium on the primary side coming from a fast reactor. Given a set of input conditions, the codes calculate composition. dimensions, volumes, and masses of the core, reflector, control system, pressure vessel, neutron and gamma shields, as well as the thermal hydraulic conditions of the coolant, clad and fuel. Input conditions are power, core life, pressure and temperature of the coolant at the inlet of the core, either the temperature of the coolant at the outlet of the core or the coolant mass flow and the fluences and integrated doses at the cargo area. Using state-of-the-art neutron cross sections and transport codes, a database was created for the neutronic performance of both reactor designs. The free parameters of the models are the moderator/fuel mass ratio for the NERVA reactor and the enrichment and the pitch of the lattice for the fast reactor. Reactivity and energy balance equations are simultaneously solved to find the reactor design. Thermalhydraulic conditions are calculated by solving the one-dimensional versions of the equations of conservation of mass, energy, and momentum with compressible flow.

Difilippo, F. C.↗

Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗

A Structural and Molecular Approach for the Study Biomarkers

Investigation of the nucleation and growth of crystals in both abiotic and biotic systems is critical to seemingly diverse disciplines of geology, biology, environmental science, and astrobiology. While there are abundant studies devoted to the determination of the structure and composition of inorganic crystals, as well as to the development of thermodynamic and kinetic models, it is only recently that research efforts have been directed towards understanding mineralization in biological systems (i.e., biomineralization). Biomineralization refers to the processes by which living organisms form inorganic solids. Studies of the processes of biomineralization under low temperature aqueous conditions have focused primarily on magnetite forming bacteria and shell forming marine organisms. Many of the biological building materials consist of inorganic minerals (calcium carbonate, calcium phosphate, silica or iron oxide) intricately combined with organic polymers (like proteins). More recently, efforts have been undertaken to explore the nature of biological activities in ancient rocks. In the absence of well-preserved microorganisms or genetic material required for the polmerase chain reaction (PCR) method in molecular phylogenetic studies, using biominerals as biomarkers offers an alternative approach for the recognition of biogenic activity in both terrestrial and extraterrestrial environments. The primary driving force in biomineralization is the interaction between organic and inorganic phases. Thus, the investigation of the ultrastructure and the nature of reactions at the molecular level occurring at the interface between inorganic and organic phases is essential to understanding the processes leading to the nucleation and growth of crystals. It is recognized that crystal surfaces can serve as the substrate for the organization of organic molecules that lead to the formation of polymers and other complex organic molecules, and in discussions of the origins of life, is referred to as organic synthesis on mineral surfaces. Furthermore, it is suggested that the interaction between mineral surfaces and simple organic molecules resulted in the formation of amino acids, RNA, and perhaps other more complex molecules such as proteins. On the other hand, in natural systems, it is recognized that functional groups on cell walls or membranes of microorganisms serve as sites of nucleation and crystallization. The precise replication of biominerals with controlled structure, morphology, size and texture is not confined to higher organisms as it also occurs in primitive prokaryotic cells such as magnetotactic bacteria and cyanobacteria. This suggests that the principal strategies of biomineralization were established early on in the evolutionary history of organisms. It is critical, therefore, to search for common mechanisms within diverse biological systems. One such common factor is the capability for organization and self-assembly. Organic macromolecules such as proteins and lipids can aggregate and polymerize forming membranes or extracellular matrix. At the organic-inorganic interface, several factors such as lattice geometry, polarity, stereochemistry and topography may act in concert to control nucleation and growth of crystals. Although several models have been proposed that discuss the significance of these factors for biomineralization, no comprehensive experimental data are available. In contrast to crystallization in exclusively inorganic systems, the kinetics of reaction and structural relationships between organic and inorganic phases in biominerals or biomimetic material is poorly understood. For example, it is not clear if the concept of epitactic growth (geometrical matching of unit cells at the interface of a secondary crystal growing on a primary crystal) applies to organic-inorganic systems. In contrast to inorganic templates that often have a smooth and rigid surface that promotes epitactic growth, biological substrates are usually rough and result in a large degree of mismatch. It is apparent that factors controlling the reaction at the crystal-matrix interface are strongly dependent upon the nature of the substrate. Therefore, characterization of the assembled organic surface and surface structure of the inorganic phase is crucial to understanding the processes of biomineralization. The focus of our research is the investigation of the processes leading to the nucleation and growth of crystals on both natural and synthetic systems through an interdisciplinary approach that integrates molecular biology, morphology and mineralogy using advanced preparation and analytical techniques. We have studied run-products, particularly magnetite, siderite and other carbonates, that resulted from extracellular biomineralization by extremophiles isolated from a variety of extreme environments ranging from permafrost to hydrothermal vent systems. The results of this study are critical to recognizing biomarkers in terrestrial and extraterrestrial environments.

Thomas-Keprta, Kathie↗

Analytical and experimental study of the effects of wing-body aerodynamic interaction on space shuttle subsonic flutter

The effects on flutter of the aerodynamic interaction between the space shuttle bodies and wing, 1/80th-scale semispan models of the orbiter wing, the complete shuttle and intermediate component combinations were tested in the NASA Langley Research Center 26-inch Transonic Blowdown Wind Tunnel. Using the double lattice method combined with slender body theory to calculate unsteady aerodynamic forces, subsonic flutter speeds were computed for comparison. Using calculated complete vehicle modes, flutter speed trends were computed for the full scale vehicle at an altitude of 15,200 meters and a Mach number of 0.6. Consistent with findings of the model studies, analysis shows the shuttle to have the same flutter speed as an isolated cantilevered wing.

Chipman, R. R.↗

Prediction of Broadband Blade-Wake Back-Scatter Noise from a Hovering Ideally Twisted Rotor using OVERFLOW2-ANOPP2

This work illustrates the use of a hybrid RANS/LES framework for the prediction of broadband noise via integral formulations from an ideally twisted hovering rotor. Four simulations were conducted, which investigated the effect of different turbulence modeling and spatiotemporal resolutions. The aerodynamic performance and aeroacoustics predicted by these four computational cases were compared against data acquired in the Small Hover Anechoic Chamber at the NASA Langley Research Center and against previous simulations conducted using the lattice-Boltzmann solver, PowerFLOW. The simulation case with the finest spatial resolution had the most favorable aerodynamic performance and broadband noise comparison with measured data; however, the simulation case utilizing the SST-DDES turbulence model predicted the most accurate tonal noise signature. Aerodynamic flowfield visualizations identified near-wake trailing edge vortex shedding, perpendicular blade-vortex interactions, and tip vortex formation, which are known to cause broadband noise. The fluid dynamics associated with a new broadband noise source, blade-wake back-scatter, were also identified. Lastly, a broadband noise source visualization technique was utilized to confirm the presence of blade-wake back-scatter as a dominant broadband noise source.

blade-wake back-scatter↗

Adaptive identification for the dynamics of large space structures

A new approach for identifying the dynamics of large space structures using noisy measurements is presented. In this approach, a modal system description is avoided and, hence, the a priori specification of model order. Instead, the system's order is recursively determined on-line, along with its parameters, using recursive lattice filters which are widely used in adaptive signal processing. The order determination is carried out based on statistical hypothesis testing theory. The approach is illustrated for the problem of identifying the structural dynamic characteristics of a free-free beam. Results on the effectiveness and accuracy of the identification scheme with respect to noise levels, sampling rates, and data window sizes are presented

Sundararajan, N.↗

An experimental and theoretical analysis of the aerodynamic characteristics of a biplane-winglet configuration

Improving the aerodynamic characteristics of an airplane with respect to maximizing lift and minimizing induced and parasite drag are of primary importance in designing lighter, faster, and more efficient aircraft. Previous research has shown that a properly designed biplane wing system can perform superiorly to an equivalent monoplane system with regard to maximizing the lift-to-drag ratio and efficiency factor. Biplanes offer several potential advantages over equivalent monoplanes, such as a 60-percent reduction in weight, greater structural integrity, and increased roll response. The purpose of this research is to examine, both theoretically and experimentally, the possibility of further improving the aerodynamic characteristics of the biplanes configuration by adding winglets. Theoretical predictions were carried out utilizing vortex-lattice theory, which is a numerical method based on potential flow theory. Experimental data were obtained by testing a model in the Pennsylvania State University's subsonic wind tunnel at a Reynolds number of 510,000. The results showed that the addition of winglets improved the performance of the biplane with respect to increasing the lift-curve slope, increasing the maximum lift coefficient, increasing the efficiency factor, and decreasing the induced drag. A listing of the program is included in the Appendix.

Gall, P. D.↗

Fretting Stresses in Single Crystal Superalloy Turbine Blade Attachments

Single crystal nickel base superalloy turbine blades are being utilized in rocket engine turbopumps and turbine engines because of their superior creep, stress rupture, melt resistance and thermomechanical fatigue capabilities over polycrystalline alloys. Currently the most widely used single crystal nickel base turbine blade superalloys are PWA 1480/1493 and PWA 1484. These alloys play an important role in commercial, military and space propulsion systems. High Cycle Fatigue (HCF) induced failures in aircraft gas turbine and rocket engine turbopump blades is a pervasive problem. Blade attachment regions are prone to fretting fatigue failures. Single crystal nickel base superalloy turbine blades are especially prone to fretting damage because the subsurface shear stresses induced by fretting action at the attachment regions can result in crystallographic initiation and crack growth along octahedral planes. Furthermore, crystallographic crack growth on octahedral planes under fretting induced mixed mode loading can be an order of magnitude faster than under pure mode I loading. This paper presents contact stress evaluation in the attachment region for single crystal turbine blades used in the NASA alternate Advanced High Pressure Fuel Turbo Pump (HPFTP/AT) for the Space Shuttle Main Engine (SSME). Single crystal materials have highly orthotropic properties making the position of the crystal lattice relative to the part geometry a significant factor in the overall analysis. Blades and the attachment region are modeled using a large-scale 3D finite element (FE) model capable of accounting for contact friction, material orthotrophy, and variation in primary and secondary crystal orientation. Contact stress analysis in the blade attachment regions is presented as a function of coefficient of friction and primary and secondary crystal orientation, Stress results are used to discuss fretting fatigue failure analysis of SSME blades. Attachment stresses are seen to reach peak values at locations where fretting cracks have been observed. Fretting stresses at the attachment region are seen to vary significantly as a function of crystal orientation. Attempts to adapt techniques used for estimating fatigue life in the airfoil region, for life calculations in the attachment region, are presented. An effective model for predicting crystallographic crack initiation under mixed mode loading is required for life prediction under fretting action.

Arakere, Nagaraj K.↗

Theory of the lattice Boltzmann Method: Dispersion, Dissipation, Isotropy, Galilean Invariance, and Stability

The generalized hydrodynamics (the wave vector dependence of the transport coefficients) of a generalized lattice Boltzmann equation (LBE) is studied in detail. The generalized lattice Boltzmann equation is constructed in moment space rather than in discrete velocity space. The generalized hydrodynamics of the model is obtained by solving the dispersion equation of the linearized LBE either analytically by using perturbation technique or numerically. The proposed LBE model has a maximum number of adjustable parameters for the given set of discrete velocities. Generalized hydrodynamics characterizes dispersion, dissipation (hyper-viscosities), anisotropy, and lack of Galilean invariance of the model, and can be applied to select the values of the adjustable parameters which optimize the properties of the model. The proposed generalized hydrodynamic analysis also provides some insights into stability and proper initial conditions for LBE simulations. The stability properties of some 2D LBE models are analyzed and compared with each other in the parameter space of the mean streaming velocity and the viscous relaxation time. The procedure described in this work can be applied to analyze other LBE models. As examples, LBE models with various interpolation schemes are analyzed. Numerical results on shear flow with an initially discontinuous velocity profile (shock) with or without a constant streaming velocity are shown to demonstrate the dispersion effects in the LBE model; the results compare favorably with our theoretical analysis. We also show that whereas linear analysis of the LBE evolution operator is equivalent to Chapman-Enskog analysis in the long wave-length limit (wave vector k = 0), it can also provide results for large values of k. Such results are important for the stability and other hydrodynamic properties of the LBE method and cannot be obtained through Chapman-Enskog analysis.

Lallemand, Pierre↗

Atomistic Modeling of RuAl and (RuNi) Al Alloys

Atomistic modeling of RuAl and RuAlNi alloys, using the BFS (Bozzolo-Ferrante-Smith) method for alloys is performed. The lattice parameter and energy of formation of B2 RuAl as a function of stoichiometry and the lattice parameter of (Ru(sub 50-x)Ni(sub x)Al(sub 50)) alloys as a function of Ni concentration are computed. BFS based Monte Carlo simulations indicate that compositions close to Ru25Ni25Al50 are single phase with no obvious evidence of a miscibility gap and separation of the individual B2 phases.

Gargano, Pablo↗

The quasi-vortex-lattice method for wings with edge vortex separation

The aerodynamic characteristics of wings with leading-edge vortex separation were predicted using a method based on a flow model with free vortex elements which are allowed to merge into a concentrated core. The calculated pressure distribution is more accurate than that predicted by methods with discrete vortex filaments alone. In addition, the computer time is reduced approximately by half.

Pao, J. L.↗

Machine Learning Approaches for Rare-Earth Silicate Environmental Barrier Coating Thermochemical and Thermomechanical Property Predictions

Environmental barrier coatings (EBCs) are a necessary enabling technology for the transition from superalloys to silicon carbide (SiC) ceramic matrix composites (CMCs) in gas turbine engines for increased efficiency and decreased fuel costs. SiC-based CMCs are prone to oxidation-based degradation in the engine hot section, and rare-earth (RE) silicates are promising candidates for EBCs due to their close thermal expansion match to the composite substrate and oxidation resistance. However, the design of EBCs is hindered by the large chemical space of candidate materials and the difficulty in obtaining material properties for engineering optimization. This is especially difficult as research continues into mixed-cation or “high-entropy” RE silicates. First-principles computational methods such as density functional theory (DFT) are highly effective at calculating material properties to guide coating design but are limited by their computational cost. Atomistic simulations have the potential to both accelerate property calculations and expand the properties able to be calculated due to their lower computational compared to DFT. However, they require interatomic potentials (IAPs) specific to the material system of interest, and, to our knowledge, there are no suitable IAPs for RE silicates. Machine learning (ML) is a promising technique to accelerate material property predictions indirectly by generating IAPs for atomistic simulations or via direct prediction. In this work, we present two ML approaches to accelerate the calculation of RE silicate properties relevant to EBC design: 1) a ML-derived interatomic potential (IAP) for atomistic simulations of yttrium disilicate (Y2Si2O7) from DFT training data, and 2) a neural network (NN) model to directly predict thermochemical properties of RE silicates and oxides directly from easily obtainable unit cell parameters. Classical MD simulations using the IAP yield lattice properties and bond lengths in good agreement with both DFT and experimental results from x-ray diffraction. Thermodynamic properties calculated using the finite-displacement phonon method and quasi-harmonic approximation were orders of magnitude faster than DFT with good agreement to the DFT results. The IAP was also used to calculate properties such as coefficient of thermal expansion (CTE) that require large simulation supercells and are therefore difficult with DFT. The IAP correctly predicted the anisotropic nature of the CTE in three different phases of Y2Si2O7. The NN model predicts constant pressure heat capacity, Cp, orders of magnitude faster than DFT calculations, which can enable its use as a surrogate model for multiscale simulations. The two methods presented in this work demonstrate the utility of ML for accelerating the prediction of RE silicate properties, which can in turn accelerate EBC design and optimization.

machine learning↗

Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

Lawson, John W.↗

Optimized aerodynamic design process for subsonic transport wing fitted with winglets

The aerodynamic design of a wind-tunnel model of a wing representative of that of a subsonic jet transport aircraft, fitted with winglets, was performed using two recently developed optimal wing-design computer programs. Both potential flow codes use a vortex lattice representation of the near-field of the aerodynamic surfaces for determination of the required mean camber surfaces for minimum induced drag, and both codes use far-field induced drag minimization procedures to obtain the required spanloads. One code uses a discrete vortex wake model for this far-field drag computation, while the second uses a 2-D advanced panel wake model. Wing camber shapes for the two codes are very similar, but the resulting winglet camber shapes differ widely. Design techniques and considerations for these two wind-tunnel models are detailed, including a description of the necessary modifications of the design geometry to format it for use by a numerically controlled machine for the actual model construction.

Kuhlman, J. M.↗

Calculation of static longitudinal aerodynamic characteristics of STOL aircraft with upper surface blown flaps

An existing prediction method developed for EBF aircraft configurations was applied to USB configurations to determine its potential utility in predicting USB aerodynamic characteristics. An existing wing-flap vortex-lattice computer program was modified to handle multiple spanwise flap segments at different flap angles. A potential flow turbofan wake model developed for circular cross-section jets was used to model a rectangular cross-section jet wake by placing a number of circular jets side by side. The calculation procedure was evaluated by comparison of measured and predicted aerodynamic characteristics on a variety of USB configurations. The method is limited to the case where the flow and geometry of the configuration are symmetric about a vertical plane containing the wing root chord. Comparison of predicted and measured lift and pitching moment coefficients were made on swept wings with one and two engines per wing panel, various flap deflection angles, and a range of thrust coefficients. The results indicate satisfactory prediction of lift for flap deflections up to 55 and thrust coefficients less than 2. The applicability of the prediction procedure to USB configurations is evaluated, and specific recommendations for improvements are discussed.

Mendenhall, M. R.↗

A thermochemical model of radiation damage and annealing applied to GaAs solar cells

Calculations of the equilibrium conditions for continuous radiation damage and thermal annealing are reported. The calculations are based on a thermochemical model developed to analyze the incorporation of point imperfections in GaAs, and modified by introducing the radiation to produce native lattice defects rather than high-temperature and arsenic atmospheric pressure. The concentration of a set of defects, including vacancies, divacancies, and impurity vacancy complexes, are calculated as a function of temperature. Minority carrier lifetimes, short circuit current, and efficiency are deduced for a range of equilibrium temperatures. The results indicate that GaAs solar cells could have a mission life which is not greatly limited by radiation damage.

Conway, E. J.↗

Aerodynamic parameter studies and sensitivity analysis for rotor blades in axial flight

The analytical capability is offered for aerodynamic parametric studies and sensitivity analyses of rotary wings in axial flight by using a 3-D undistorted wake model in curved lifting line theory. The governing equations are solved by both the Multhopp Interpolation technique and the Vortex Lattice method. The singularity from the bound vortices is eliminated through the Hadamard's finite part concept. Good numerical agreement between both analytical methods and finite differences methods are found. Parametric studies were made to assess the effects of several shape variables on aerodynamic loads. It is found, e.g., that a rotor blade with out-of-plane and inplane curvature can theoretically increase lift in the inboard and outboard regions respectively without introducing an additional induced drag.

Chiu, Y. Danny↗

Grain boundary sliding behaviour of copper and alpha brass at intermediate temperatures

The role of grain boundary sliding in copper and Cu-30 pct Zn in the temperature range 0.50-0.72 Tm, where Tm is the absolute melting point of the material, is examined. First, sliding data obtained on these materials are presented. The results indicate that the stress exponent for sliding is similar to that for lattice deformation, while the activation energy for sliding varies between 0.5 and 1.6 of the activation energy for creep. Several models proposed for grain boundary sliding are discussed, and it is shown that they do not account for the observed results on copper and alpha brass. A phenomenological model is proposed, where it is assumed that grain boundary sliding results from the glide of dislocations on secondary slip planes.

Raj, S. V.↗