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Experimental program on nucleation and structure in undercooled melts

Undercooling and structural refinements in droplets of molten metal levitated in an induction field and/or by dispersion in a fluid carrier were studied. Nickel base and lower melting point alloys levitated in molten carrier fluids are considered. The dispersion of molten alloy droplets in a high temperature fluid following the procedures developed by Perepezko and co-workers for lower melting point alloys; obtaining a similar dispersion by room temperature mechanical mixing of particles of the metal and solidified liquid carrier; and solidification of single relatively large droplets in a transparent fluid carrier, enabling high-speed temperature measurement of the recalescence and subsequent cooling behavior are described.

Source record

Zaoyang chondrite cooling history from pyroxene Fe(2+)-Mg intracrystalline ordering and exolutions

The Zaoyang ordinary chondrite fell as a single 14.15-kg mass in Hubey province (China) in October 1984 and was classified as a non-brecciated H5 chondrite, shock facies b. Cooling rate in pyroxenes can be calculated down to about 1000 C by using fine textures and at still lower temperatures (700 to 200 C) by intracrystalline ordering processes. The crystal chemistry of clinopyroxene and orthopyroxene from the matrix of the H5 Zaoyang chondrite has been investigated by X-ray structure refinement and detailed microprobe analysis. By comparison with terrestrial pyroxenes cell and polyhedral volumes in clino- and orthopyroxenes show a low crystallization pressure. Fe(2+) and Mg are rather disordered in M1 and M2 sites of clino- and orthopyroxenes; the closure temperatures of the exchange reaction are 600 and 512 C respectively, which is consistent with a quite fast cooling rate, estimated of the order of one degree per day. The closure temperature for the intercrystalline Ca-Mg exchange reaction for clino- and orthopyroxene showing clinopyroxene lamellae about 10 microns thick. Kinetic evaluations based on the thickness of exolved lamellae give a cooling rate of not more than a few degrees per 10(exp 4) years. The different cooling rates obtained from Fe(2+)-Mg intracrystalline partitioning and exolution lamellae suggest an initial episode of slow cooling at 900 C, followed by faster cooling at temperatures of 600-500 C at low pressure conditions. The most probable scenario of the meteorite history seems that the exolved orthopyroxene entered the parental chondrite body after exolution had taken place at high temperature. Subsequent fast cooling occurred at low temperature after the formation of the body.

Molin, G. M.

Dynamic-stall and structural-modeling effects on helicopter blade stability with experimental correlation

The effects of blade and root-flexure elasticity and dynamic stall on the stability of hingeless rotor blades are investigated. The dynamic stall description is based on the ONERA models of lift, drag, and pitching moment. The structural analysis is based on three blade models that range from a rigid flap-lag model to two elastic flap-lag-torsion models, which differ in representing root-flexure elasticity. The predictions are correlated with the measured lag damping of an experimental isolated three-blade rotor; the correlation covers rotor operations from near-zero-thrust conditions in hover to highly stalled, high-thrust conditions in foward flight. That correlation shows sensitivity of lag-damping predictions to structural refinements in blade and root-flexure modeling. Moreover, this sensitivity increases with increasing control pitch angle and advance ratio. For high-advance-ratio and high-thrust conditions, inclusion of dynamic stall generally improves the correlation.

Barwey, D.

Co(x)Ni(4-x)Sb(12-y)Sn(y) Ternary Skutterudites: Processing and Thermoelectric Properties

Skutterudites have proven to be a useful thermoelectric system as a result of their high figure of merit, favorable mechanical properties, and good thermal stability. Binary skutterudites have received the majority of interest in recent years, as a result of successful double and triple filling schemes. Ternary skutterudites, such as Ni4Sb7Sn5, also demonstrate good thermoelectric performance, with high power factor and low thermal conductivity. Ternary skutterudites, as contrasted to binary systems, provide more possibility for tuning electronic structure as substitutions can be studied on three elements. The Co(x)Ni(4-x)Sb(12-y)Sn(y) system has been investigated as both a p- and n-type thermoelectric material, stable up to 200 C. The system is processed through a combination of solidification, mechanical alloying, and hot pressing steps. Rietveld structure refinement has revealed an interesting occupancy of Sn on both the 24g Wyckoff position with Sb as well as the 2a position as a rattler. In addition to thermoelectric properties, detailed processing routes have been investigated on the system.

Seebeck effect

Grid Convergence for Turbulent Flows(Invited)

A detailed grid convergence study has been conducted to establish accurate reference solutions corresponding to the one-equation linear eddy-viscosity Spalart-Allmaras turbulence model for two dimensional turbulent flows around the NACA 0012 airfoil and a flat plate. The study involved three widely used codes, CFL3D (NASA), FUN3D (NASA), and TAU (DLR), and families of uniformly refined structured grids that differ in the grid density patterns. Solutions computed by different codes on different grid families appear to converge to the same continuous limit, but exhibit different convergence characteristics. The grid resolution in the vicinity of geometric singularities, such as a sharp trailing edge, is found to be the major factor affecting accuracy and convergence of discrete solutions, more prominent than differences in discretization schemes and/or grid elements. The results reported for these relatively simple turbulent flows demonstrate that CFL3D, FUN3D, and TAU solutions are very accurate on the finest grids used in the study, but even those grids are not sufficient to conclusively establish an asymptotic convergence order.

Diskin, Boris

The Enduring Legacy of Saturn V Launch Vehicle Flight Dynamics and Control Design Principles and Practices

It has been over 50 years since the first launch of the Saturn V launch vehicle, Apollo 4, on November 9th,1967. Developed at NASA’s Marshall Space Flight Center (MSFC) in Huntsville, Alabama, the Saturn V was a massive multistage liquid-fuel expendable rocket used by NASA’s Apollo and Skylab programs. It safely flew 24 American astronauts to the Moon, blazing the trail for all American heavy-lift launch vehicles to follow. The Saturn V remains the only launch vehicle to carry humans beyond low Earth orbit. Nearly fifty years after the final May 1973 flight of the Saturn V, an enduring technical legacy of launch vehicle technologies still supports the United States space launch capabilities, particularly with respect to flight dynamics and control. The structured refinement of GN&C technologies during the Saturn program, leveraging the incremental advancements of the Jupiter, Redstone, and Saturn I/IB, systematically reduced risk and resulted in the most advanced and reliable launch vehicle flight control systems to have been developed before the advent of the Space Shuttle.

Jeb S Orr

Highly parallel structured adaptive mesh refinement using parallel language-based approaches

Adaptive mesh refinement (AMR) calculations carried out on structured meshes play an exceedingly important role in several areas of science and engineering. A strategy for using Fortran 90 in an object-oriented fashion is presented. This permits AMR applications to be expressed in terms of familiar abstractions that are natural to the process of solving AMR hierarchies. The OpenMP features that are useful for parallel processing of AMR hierarchies in a load balanced fashion on multiprocessors is described.

computational

Conceptual Design of a Gulled-Wing Commercial Transport

Open rotor powerplants have long been discussed as a potential solution to reduce aircraft fuel burn by increasing effective bypass ratio. However, this promising technology presents unique integration challenges. A gulled-wing approach for commercial transports is proposed to accommodate large-diameter powerplants. Integration effects of open rotor powerplants are modeled, analyzed, and discussed. Aerodynamic analysis and refined structural weight estimates are used to inform a preliminary conceptual design. Mission analysis of this model is performed, and the results are compared against NASA’s 154-passenger N+3 Conventional Configuration advanced technology baseline. Results indicate that gulled wings prove a viable solution for integrating large powerplants. Application of an open rotor engine model resulted in a fuel burn benefit on the order of 15% compared to the conventional turbofan configuration.

Conceptual Design

AQuaRef: machine learning accelerated quantum refinement of protein structures

Cryo-EM and X-ray crystallography provide crucial experimental data for obtaining atomic-detail models of biomacromolecules. Refining these models relies on library-based stereochemical data, which, in addition to being limited to known chemical entities, do not include meaningful noncovalent interactions. Quantum mechanical (QM) calculations could alleviate these issues but are too expensive for large molecules. Here we present a novel AI-enabled Quantum Refinement (AQuaRef) based on AIMNet2 machine learned interatomic potential (MLIP) mimicking QM at substantially lower computational costs. By refining 41 cryo-EM and 30 X-ray structures, we show that this approach yields atomic models with superior geometric quality compared to standard techniques, while maintaining an equal or better fit to experimental data. Notably, AQuaRef aids in determining proton positions, as illustrated in the challenging case of short hydrogen bonds in the parkinsonism-associated human protein DJ-1 and its bacterial homolog YajL.

Zubatyuk, Roman [Carnegie Mellon University, Pitts

Thermal, Structural, and Rotordynamics Refinements to the Superconducting Rotor of A 1.4 Mw Partially Superconducting Machine for Electrified Aircraft

NASA is developing the high efficiency megawatt motor (HEMM), a 1.4 MW partially superconducting machine, to ad-dress the need for highly efficient, lightweight, MW-class ma-chines to support aviation sustainability efforts. This paper presents progress on the thermal, structural, and rotordynamics aspects of HEMM’s superconducting rotor. Emissivity measurements of gold coated cobalt iron and titanium parts are presented and then used to correlate a thermal model of the rotor to existing data from a thermo-electrical test of the full-scale rotor. Lessons learned from the correlated model are presented, including a rank ordering of the contributors to the temperature of the superconducting coils. An updated structural design of the HEMM rotor is presented and compared to the prior design. Finite element analysis demonstrates that the updated design improves stress margins while reducing magnetic flux leakage and retaining thermal performance. The key conclusions of the rotordynamics design are presented.

electrified aircraft propulsion

Multistep modeling of protein structure: application towards refinement of tyr-tRNA synthetase

The scope of multistep modeling (MSM) is expanding by adding a least-squares minimization step in the procedure to fit backbone reconstruction consistent with a set of C-alpha coordinates. The analytical solution of Phi and Psi angles, that fits a C-alpha x-ray coordinate is used for tyr-tRNA synthetase. Phi and Psi angles for the region where the above mentioned method fails, are obtained by minimizing the difference in C-alpha distances between the computed model and the crystal structure in a least-squares sense. We present a stepwise application of this part of MSM to the determination of the complete backbone geometry of the 321 N terminal residues of tyrosine tRNA synthetase to a root mean square deviation of 0.47 angstroms from the crystallographic C-alpha coordinates.

NASA Discipline Exobiology

Evolutionary Optimization of a Geometrically Refined Truss

Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection, and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This Technical Publication (TP) presents a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: genetic algorithms and differential evolution to successfully optimize a benchmark structural optimization problem. A nontraditional solution to the benchmark problem is presented in this TP, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

Hull, P. V.

Evolutionary optimization of a Genetically Refined Truss

Structural optimization is a field of research that has experienced noteworthy growth for many years. Researchers in this area have developed optimization tools to successfully design and model structures, typically minimizing mass while maintaining certain deflection and stress constraints. Numerous optimization studies have been performed to minimize mass, deflection and stress on a benchmark cantilever truss problem. Predominantly traditional optimization theory is applied to this problem. The cross-sectional area of each member is optimized to minimize the aforementioned objectives. This paper will present a structural optimization technique that has been previously applied to compliant mechanism design. This technique demonstrates a method that combines topology optimization, geometric refinement, finite element analysis, and two forms of evolutionary computation: Genetic Algorithms and Differential Evolution to successfully optimize a benchmark structural optimization problem. An non-traditional solution to the benchmark problem is presented in this paper, specifically a geometrically refined topological solution. The design process begins with an alternate control mesh formulation, multilevel geometric smoothing operation, and an elastostatic structural analysis. The design process is wrapped in an evolutionary computing optimization toolset.

Hull, Patrick V.

Technology for satellite power conversion

The dipole pattern of the antenna was confirmed and work on the MOM diode began. The antenna - detector structure was modified and the measurement apparatus reconfigured to permit precise antenna pattern measurements. Fabrication of the MOM diode was initiated after antenna action from the new structures was observed. A refined antenna structure was developed. The previous antenna design allowed currents induced by the incident radiation in the bonding wires to flow through the bolometer. The detector was thus responding to both the antenna and bonding wire currents. A low pass filter was added to the antenna structure to improve the detection scheme. The new design uses an interdigitated capacitor to prevent the induced current in the bonding wires from flowing through the detection element.

Gouker, M. A.

GRAIL Refinements to Lunar Seismic Structure

The present ]day internal structure of the Moon provides insight not only into its own formation and evolution, but also that of all rocky planetary bodies. The most direct way to probe a planet fs interior structure is through seismology. As part of the Apollo lunar missions, four seismometers were deployed on the nearside surface of the Moon between the years 1969 and 1972. These instruments operated continuously until 1977, forming the only substantial extraterrestrial seismic data set in existence. These data have been used to constrain various aspects of the seismic velocity and density structure of the Moon. Typical 1-D models recognize a 30-60 km thick crust overlying a nearly constant ]velocity mantle, and extend to a depth of approximately 1000 km, below which the lack of penetrating moonquake ray ]paths precludes the seismic determination of deeper structure. Previously, the lack of observed moonquakes from the far side of the Moon has been used to infer the presence of a highly attenuating (possibly molten) core. Indirect geophysical measurements such as moment of inertia, magnetic induction, lunar laser ranging, and elemental abundances of mare basalts also place varying constraints on core size and state. In combination with seismic studies, these indirect measurements have been used to arrive at a commonly accepted model of the Moon's deepest interior that includes a solid inner and fluid outer core, overlain by a partial melt boundary layer. We recently applied modern array seismology techniques to the Apollo data and revealed detailed core structure, including the first direct confirmation of the presence of a solid inner core. Our study focused on the identification of core ]reflected phases in deep moonquake seismograms. The resulting model of the Moon fs innermost structure was found to be consistent with the commonly accepted model. However, the modeled layer radii may vary by tens of kilometers, as is expected when accounting for uncertainties such as moonquake location, timing errors, and potential seismic heterogeneities. In addition, the modeled velocities may vary with a 1-to-1 trade ]off with the modeled reflector depth. The GRAIL (Gravity Recovery and Interior Laboratory) mission, launched in Sept. 2011, placed two nearly identical spacecraft in lunar orbit. The two satellites make extremely high-resolution measurements of the lunar gravity field, which can be used to constrain the interior structure of the Moon using a "crust to core" approach. GRAIL fs constraints on crustal thickness, mantle structure, core radius and stratification, and core state (solid vs. molten) will complement seismic investigations in several ways. Here we present a progress report on our efforts to advance our knowledge of the Moon fs internal structure using joint gravity and seismic analyses. We will focus on methodology, including 1) refinements to the seismic core constraint accomplished through array processing of Apollo seismic data, made by applying a set of travel time corrections based on GRAIL structure estimates local to each Apollo seismic station; 2) modeling deep lunar structure through synthetic seismograms, to test whether the seismic core model can reproduce the core reflections observed in the Apollo seismograms; and 3) a joint seismic and gravity inversion in which we attempt to fit a family of seismic structure models with the gravity constraints from GRAIL, resulting in maps of seismic velocities and densities that vary from a nominal model both laterally and with depth.

Weber, Renee

Scatter in Carbon/Silicon Carbide (C/SiC) Composites Quantified

Carbon-fiber-reinforced silicon carbide matrix (C/SiC) composites processed by chemical vapor infiltration are candidate materials for aerospace thermal structures. Carbon fibers can retain properties at very high temperatures, but they are known to have poor oxidation resistance in adverse, high-temperature environments. Nevertheless, the combination of CVI-SiC matrix with higher stiffness and oxidation resistance, the interfacial coating, and additional surface-seal coating provides the necessary protection to the carbon fibers, and makes the material viable for high-temperature space applications operating under harsh environments. Furthermore, C/SiC composites, like other ceramic matrix composites (CMCs), exhibit graceful non-catastrophic failure because of various inherent energy dissipating mechanisms. The material exhibits nonlinearity in deformation even at very low stress levels. This is the result of the severe matrix microcracking present in the as processed composite because of large differences between the coefficients of thermal expansion of the fiber and the matrix. Utilization of these advanced composites in next generation space vehicles will require innovative structural configurations, updated materials, and refined analyses. Structural safety issues for these vehicles are in direct competition with performance and cost. One would have to quantify the uncertainties associated with the design using formal probabilistic methods. Specifically four fundamental aspects on which analyses are based-- (1) loading conditions, (2) material behavior, (3) geometrical configurations, and (4) structural connections between the composite components and baseline structure--are stochastic in nature. A direct way to formally account for uncertainties is to develop probabilistic structural analysis methods where all participating variables are described by appropriate probability density functions. The present work, however, focuses on analyzing the stochastic material behavior of these advanced composites using formal probabilistic analysis methods. Often, some of the desirable property characteristics that allow composites to offer advantages over conventional structural materials (like tailoring of composite properties) and the complexity are in fact responsible for their greater statistical variability and the requirements for more characterization tests. Composite properties are anisotropic as well, having different properties in different directions. This means that characterization of a property such as stiffness--which will vary greatly depending on the orientation of the fiber relative to the direction of the testing--must be repeated for several different directions and loading conditions. The fabrication process for composites also introduces statistical variations in properties and geometry. A composite part is produced in a number of steps, each of which introduces statistical variability. The matrix is usually produced from a combination of raw materials; and the fiber, which has its own set of properties, is often coated or surface treated, introducing yet another source of variability.

Murthy, Pappu L. N.

Structure of ice VII with Hirshfeld atom refinement

In the refinement of the crystal structures of ice, the best results obtained so far have been with neutron diffraction because the most troublemaking aspects are the hydrogen atoms. In nine out of twenty ice structures, the hydrogen atoms are disordered, which makes proper refinement more difficult. In our previous paper describing the structure of ice VI we proved that, using Hirshfeld atom refinement (HAR) based on synchrotron X-ray data, it is possible to obtain results comparable with those from neutron experiments. In this work, we investigate another structure of high-pressure disordered ice, cubo-ice (ice VII). Single crystals of cubo-ice were grown under pressure in diamond anvil cells. X-ray diffraction measurements were conducted at a synchrotron source facility (APS, University of Chicago, USA) as well as on our regular in-house laboratory diffractometer with Ag radiation. The data collected were further refined with HAR. Comparison of the structural parameters obtained with those derived from neutron diffraction showed very good agreement in terms of bond lengths and fairly good agreement in terms of hydrogen atom ADPs. We were also able to perform unconstrained refinements with various split-atom models.

Chemistry