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NASA NTRS1999

A Study of Flame Propagation on Water-Mist Laden Gas Mixtures in Microgravity

The use of water mists (very fine water sprays) for fire suppression is currently receiving increased attention as a replacement technology for halogen-based chemical agents-such as Halon 1301 (CF3Br)--the manufacturing of which has been banned by the Montreal Protocol due to their high ozone depletion potential. Water mist technology has been found effective for a wide range of applications such as Class B pool fires, shipboard machinery, aircraft cabins, computers, and electronic equipment. There are five distinct mechanisms by which water droplets may interact with a flame. First, the high enthalpy of vaporization of water (2450 kJ/kg) leads to heat removal from the flame front as the liquid droplets turn to steam. Second, as water vaporizes its volume increases approximately three orders of magnitude, which leads to the dilution of the oxygen and vaporized fuel required to maintain the flame. The third effect is the recombination of H-atoms and other radicals on the droplet surface. A fourth effect of water mists in fires is the retardation of surface propagation rates due to the wetting of walls and surfaces. The last potential impact of fine water mists affects the radiative propagation of the fire by forming an optically thick barrier to infrared radiation which prevents ignition of the unburned regions. Unfortunately, little fundamental information exists on the interaction of a flame with a water mist. To date, there is no widely accepted interpretation of the critical concentration of droplets required to suppress a flame or of the fundamental mechanisms involved in flame extinguishment by water mists. One of the main obstacles to obtaining such understanding is the difficulty of providing a simple, well-defined experimental setup for the flame front/water mist interaction. Some of the difficulty stems from the problem of generating, distributing and maintaining a homogeneous concentration of droplets throughout a chamber while gravity depletes the concentration and alters the droplet size by coalescence and agglomeration mechanisms. Experiments conducted in the absence of gravity provide an ideal environment to study the interaction of water mists and flames by eliminating these distorting effects. In addition, microgravity eliminates the complex flow patterns induced between the flame front and the water droplets. The long duration and quality of microgravity in space flights provide the required conditions to perform the setup and monitoring of flame suppression experiments. Consequently, a series of experiments have been identified to be performed on the Combustion Module (CM-2) in the Space Shuttle. These consist of measuring the extinguishing capability of a water mist on a premixed flame propagating along a tube. These experiments should provide the necessary data to obtain further understanding of the water mist suppression phenomena that can be later used to design and manufacture appropriate fire suppression systems. In preparation for the orbital flights, experiments have been conducted on low-gravity ground facilities to obtain the preliminary data necessary to define the scientific objectives and technical issues of the spacecraft experiments.

Abbud-Madrid, A.↗

NASA NTRS1990

Effect of shock pressure on the structure and superconducting properties of Y-Ba-Cu-O in explosively fabricated bulk metal-matrix composites

While it is now well established that copper-oxide-based powder, or virtually any other ceramic superconductor powder, can be consolidated and encapsulated within a metal matrix by explosive consolidation, the erratic superconductivity following fabrication has posed a major problem for bulk applications. The nature of this behavior was found to arise from microstructural damage created in the shock wave front, and the residual degradation in superconductivity was demonstrated to be directly related to the peak shock pressure. The explosively fabricated or shock loaded YBa2Cu3Ox examples exhibit drastically altered rho (or R) - T curves. The deterioration in superconductivity is even more noticeable in the measurement of ac magnetic susceptibility and flux exclusion or shielding fraction which is also reduced in proportion to increasing peak shock pressure. The high-frequency surface resistance (in the GHz range) is also correspondingly compromised in explosively fabricated, bulk metal-matrix composites based on YBa2Cu3O7. Transmission electron microscopy (including lattice imaging techniques) is being applied in an effort to elucidate the fundamental (microstructural) nature of the shock-induced degradation of superconductivity and normal state conductivity. One focus of TEM observations has assumed that oxygen displaced from b-chains rather than oxygen-vacancy disorder in the basal plane of oxygen deficient YBa2Cu3Ox may be a prime mechanism. Shock-wave displaced oxygen may also be locked into new positions or interstitial clusters or chemically bound to displaced metal (possibly copper) atoms to form precipitates, or such displacements may cause the equivalent of local lattice cell changes as a result of stoichiometric changes. While the shock-induced suppression of T(sub c) is not desirable in the explosive fabrication of bulk metal-matrix superconductors, it may be turned into an advantage if the atomic-scale distortion can be understood and controlled as local flux pinning sites.

Murr, L. E.↗

NASA NTRS1991

Effect of shock pressure on the structure and superconducting properties of Y-Ba-Cu-O in explosively fabricated bulk metal-matrix composites

While it is now well established that copper-oxide-based power, or virtually any other ceramic superconductor powder, can be consolidated and encapsulated within a metal matrix by explosive consolidation, the erratic superconductivity following fabrication has posed a major problem for bulk applications. The nature of this behavior was found to arise from microstructural damage created in the shock wave front, and the residual degradation in superconductivity was demonstrated to be directly related to the peak shock pressure. The explosively fabricated or shock loaded YBa2Cu3Ox examples exhibit drastically altered rho (or R) - T curves. The deterioration in superconductivity is even more noticeable in the measurement of ac magnetic susceptibility and flux exclusion or shielding fraction which is also reduced in proportion to increasing peak shock pressure. The high frequency surface resistance (in the GHz range) is also correspondingly compromised in explosively fabricated, bulk metal-matrix composites based on YBa2Cu3O7. Transmission electron microscopy (including lattice imaging techniques) is being applied in an effort to elucidate the fundamental (microstructural) nature of the shock-induced degradation of superconductivity and normal state conductivity. One focus of TEM observations has assumed that oxygen displaced from b-chains rather than oxygen-vacancy disorder in the basal plane of oxygen deficient YBa2Cu3Ox may be a prime mechanism. Shock-wave displaced oxygen may also be locked into new positions or interstitial clusters or chemically bound to displaced metal (possibly copper) atoms to form precipitates, or such displacements may cause the equivalent of local lattice cell changes as a result of stoichiometric changes. While the shock-induced suppression of T(sub c) is not desirable in the explosive fabrication of bulk metal-matrix superconductors, it may be turned into an advantage if the atomic-scale distortion can be understood and controlled as local flux pinning sites.

Murr, L. E.↗

NASA NTRS2007

Active Correction of Aberrations of Low-Quality Telescope Optics

A system of active optics that includes a wavefront sensor and a deformable mirror has been demonstrated to be an effective means of partly correcting wavefront aberrations introduced by fixed optics (lenses and mirrors) in telescopes. It is envisioned that after further development, active optics would be used to reduce wavefront aberrations of about one wave or less in telescopes having aperture diameters of the order of meters or tens of meters. Although this remaining amount of aberration would be considered excessive in scientific applications in which diffraction-limited performance is required, it would be acceptable for free-space optical- communication applications at wavelengths of the order of 1 m. To prevent misunderstanding, it is important to state the following: The technological discipline of active optics, in which the primary or secondary mirror of a telescope is directly and dynamically tilted, distorted, and/or otherwise varied to reduce wavefront aberrations, has existed for decades. The term active optics does not necessarily mean the same thing as does adaptive optics, even though active optics and adaptive optics are related. The term "adaptive optics" is often used to refer to wavefront correction at speeds characterized by frequencies ranging up to between hundreds of hertz and several kilohertz high enough to enable mitigation of adverse effects of fluctuations in atmospheric refraction upon propagation of light beams. The term active optics usually appears in reference to wavefront correction at significantly lower speeds, characterized by times ranging from about 1 second to as long as minutes. Hence, the novelty of the present development lies, not in the basic concept of active or adaptive optics, but in the envisioned application of active optics in conjunction with a deformable mirror to achieve acceptably small wavefront errors in free-space optical communication systems that include multi-meter-diameter telescope mirrors that are relatively inexpensive because their surface figures are characterized by errors as large as about 10 waves. Figure 1 schematically depicts the apparatus used in an experiment to demonstrate such an application on a reduced scale involving a 30-cm-diameter aperture.

Hemmati, Hamid↗

NASA NTRS2001

Ab Initio and Improved Empirical Potentials for the Calculation of the Anharmonic Vibrational States and Intramolecular Mode Coupling of N-Methylacetamide

The second-order Moller-Plesset ab initio electronic structure method is used to compute points for the anharmonic mode-coupled potential energy surface of N-methylacetamide (NMA) in the trans(sub ct) configuration, including all degrees of freedom. The vibrational states and the spectroscopy are directly computed from this potential surface using the Correlation Corrected Vibrational Self-Consistent Field (CC-VSCF) method. The results are compared with CC-VSCF calculations using both the standard and improved empirical Amber-like force fields and available low temperature experimental matrix data. Analysis of our calculated spectroscopic results show that: (1) The excellent agreement between the ab initio CC-VSCF calculated frequencies and the experimental data suggest that the computed anharmonic potentials for N-methylacetamide are of a very high quality; (2) For most transitions, the vibrational frequencies obtained from the ab initio CC-VSCF method are superior to those obtained using the empirical CC-VSCF methods, when compared with experimental data. However, the improved empirical force field yields better agreement with the experimental frequencies as compared with a standard AMBER-type force field; (3) The empirical force field in particular overestimates anharmonic couplings for the amide-2 mode, the methyl asymmetric bending modes, the out-of-plane methyl bending modes, and the methyl distortions; (4) Disagreement between the ab initio and empirical anharmonic couplings is greater than the disagreement between the frequencies, and thus the anharmonic part of the empirical potential seems to be less accurate than the harmonic contribution;and (5) Both the empirical and ab initio CC-VSCF calculations predict a negligible anharmonic coupling between the amide-1 and other internal modes. The implication of this is that the intramolecular energy flow between the amide-1 and the other internal modes may be smaller than anticipated. These results may have important implications for the anharmonic force fields of peptides, for which N-methylacetamide is a model.

Gregurick, Susan K.↗

NASA NTRS2001

Flow Range of Centrifugal Compressor Being Extended

General Aviation will benefit from turbine engines that are both fuel-efficient and reliable. Current engines fall short of their potential to achieve these attributes. The reason is compressor surge, which is a flow stability problem that develops when the compressor is subjected to conditions that are outside of its operating range. Compressor surge can occur when fuel flow to the engine is increased, temporarily back pressuring the compressor and pushing it past its stability limit, or when the compressor is subjected to inlet flow-field distortions that may occur during takeoff and landing. Compressor surge can result in the loss of an aircraft. As a result, engine designers include a margin of safety between the operating line of the engine and the stability limit line of the compressor. Unfortunately, the most efficient operating line for the compressor is usually closer to its stability limit line than it is to the line that provides an adequate margin of safety. A wider stable flow range will permit operation along the most efficient operating line of the compressor, improving the specific fuel consumption of the engine and reducing emissions. The NASA Glenn Research Center is working to extend the stable flow range of the compressor. Significant extension has been achieved in axial compressors by injecting air upstream of the compressor blade rows. Recently, the technique was successfully applied to a 4:1 pressure ratio centrifugal compressor by injecting streams of air into the diffuser. Both steady and controlled unsteady injection were used to inject air through the diffuser shroud surface and extend the range. Future work will evaluate the effect of air injection through the diffuser hub surface and diffuser vanes with the goal of maximizing the range extension while minimizing the amount of injected air that is required.

Skoch, Gary J.↗

DOE OSTI2022

Phonon-assisted formation of an itinerant electronic density wave

Abstract Electronic instabilities drive ordering transitions in condensed matter. Despite many advances in the microscopic understanding of the ordered states, a more nuanced and profound question often remains unanswered: how do the collective excitations influence the electronic order formation? Here, we experimentally show that a phonon affects the spin density wave (SDW) formation after an SDW-quench by femtosecond laser pulses. In a thin film, the temperature-dependent SDW period is quantized, allowing us to track the out-of-equilibrium formation path of the SDW precisely. By exploiting its persistent coupling to the lattice, we probe the SDW through the transient lattice distortion, measured by femtosecond X-ray diffraction. We find that within 500 femtoseconds after a complete quench, the SDW forms with the low-temperature period, directly bypassing a thermal state with the high-temperature period. We argue that a wavevector-matched phonon launched by the quench changes the formation path of the SDW through the dynamic pinning of the order parameter.

42 ENGINEERING↗

NASA NTRS1993

Delimitation of terrestrial impact craters by way of pseudotachylytic rock distribution

The determination of the shape and size of terrestrial impact craters is problematic, yet is critical to understanding cratering mechanics and for scaling bolide mass, volume, and impact velocity with crater size and target response. The problem is particularly difficult in older geological terrains (e.g. Precambrian) which are more likely to have suffered post-impact deformation and hence distortion of the original structure and/or where weathering may have partly removed or obscured its original shape. Traditionally, a number of features are used to assist us in determining the shape and size of an impact structure. These include the following: (1) the occurrence of faults, especially those disposed concentrically relative to the crater--the outermost ring faults being interpreted as indicating a viable minimum diameter; and (2) the development of so-called breccias, some of which are also associated with faults (e.g. the Sudbury Breccia developed within the target rocks of the Sudbury Structure of Onta rio, Canada). 'Breccia' is not a satisfactory term because a number of breccia-types exist at impact sites (e.g. fall-back breccias and in-situ brecciated target material). Of relevance to crater diameter determination is the recognition of discrete zones and fault- and shock-related pseudotachylyte. Pseudotachylyte is a rock type comprising a fine-grained, usually dark matrix containing clasts of minerals and/or rock derived from the country rock target material. It origin is normally attributed to high-speed slip (including vibration) along a slip surface (i.e. fault) or to the passage of a shock wave through the host material. The clasts can occur as angular fragments (i.e. like a breccia), but are more commonly developed as rounded to sub-rounded fragments. Significantly, the scale of these pseudotachylytes can range from sub-millimeter thick veinlets to dyke-like bodies up to 1 km or more thick. It is the latter, larger occurrence which has been referred to as 'breccia.' The smaller-sized occurrence is generally not recognized in the field, nor is it traditionally associated with its larger counterpart.

Spray, John G.↗

DOE OSTI2026

Jahn–Teller distortion controls electron transfer in photoexcited Cu( I ) donor–acceptor systems

The Jahn–Teller distortion (JTD) is a defining structural response to electronic excitation in Cu( I )-based transition metal complexes, yet its role in photoinduced electron transfer (PET) remains largely unexplored. Here, we demonstrate that the JTD governs charge separation (CS) through a vibronically controlled conical intersection in heteroleptic Cu( I ) bisphenanthroline–naphthalene diimide (CuHETPHEN-NDI) donor–acceptor dyads. Using 20-fs broadband transient absorption spectroscopy combined with coherent vibrational wavepacket (CVWP) analysis and quantum chemical calculations, we directly track nuclear motions that steer the system from the metal-to-ligand charge-transfer ( 1 MLCT) state to the CS state. Steric bulkiness of the pendant groups at the 2,9-positions of the phenanthroline ligand systematically slows both JTD and CS. Short-time Fourier transformation and Fourier filtering analyses identify two key vibrational signatures: a low-frequency breathing mode (∼100 cm −1 ) via a bond distance change between Cu and ligated Ns (Cu–N) that modulates the NDI anion absorption and acts as a vibronic coupling coordinate, and a higher-frequency mode (∼313 cm −1 ) that evolves along the PET trajectory. Normal mode analysis and potential energy surface calculations show that the JTD brings the 1 MLCT and CS states into degeneracy, while the Cu–N breathing motion dynamically modulates donor–acceptor electronic coupling to enable ultrafast nonadiabatic electron transfer. Steric hindrance exerted by the groups at the 2,9 positions of the phenanthroline ligands suppresses this vibronic coupling, leading to faster CVWP decoherence for the 313 cm −1 mode and slower CS. These findings unravel JTD-controlled vibronic coupling at conical intersection as a governing factor for CS and provide insight into designing Cu-based photosensitizers by harnessing structural dynamics to control PET.

Kim, Pyosang [Argonne National Laboratory (ANL), A↗

DOE OSTI2022

Correcting for digital image correlation speckle inversion at high temperature using color cameras

Digital image correlation (DIC) is a popular, noncontacting technique to measure full-field deformation by using cameras to track the motion of an applied surface pattern. Because it is noncontacting, DIC can be performed for extreme temperature applications (e.g., hot-fire rocket testing of carbon composite rocket nozzles) under harsh conditions during which bonded gauges are damaged. Speckle pattern inversion is a phenomenon that sometimes occurs while performing high-temperature DIC. During speckle pattern inversion, portions of the surface pattern that were initially darker at room temperature (e.g., graphite) may emit more light due to blackbody radiation than the portions that were initially paler, thereby producing images in which the pattern appears inverted at high temperature relative to the initial pattern at room temperature. This phenomenon can prevent the correlation algorithm from being able to resolve the displacements between images. This work compares three methods to mitigate speckle pattern inversion: (A) the subtraction method, a recently-published technique in which two high-temperature images are subtracted to remove unwanted light; (B) the filtering method, a popular technique in which optical bandpass filters screen out unwanted light; and (C) the histogram rescaling method, a proposed new method that pairs a color camera with a blue light source and uses information from the green sensor of the camera to correct against inversion in the blue sensor through postprocessing. The histogram rescaling method is shown to successfully eliminate speckle pattern inversion and has the added advantages that it does not require quasi-static loading to be able to compensate for speckle pattern inversion, nor does it impose thick-glass distortions caused by the optical filter.

Rowley, Lindsey J.↗

NASA NTRS1992

Nucleation and growth of rolling contact failure of 440C bearing steel

A 'two-body' elasto-plastic finite element model of 2-dimensional rolling and rolling-plus-sliding was developed to treat the effect of surface irregularities. The model consists of a smooth cylinder in contact with a semi-infinite half-space that is either smooth or fitted with one of 0.4 microns deep or 7 microns deep groove, or a 0.4 microns high ridge-like asperity. The model incorporates elastic-linear-kinematic hardening-plastic (ELKP) and non-linear-kinematic hardening-plastic (NLKP) material constitutive relations appropriate for hardened bearing steel and the 440C grade. The calculated contact pressure distribution is Hertzian for smooth body contact, and it displays intense, stationary, pressure spikes superposed on the Hertzian pressure for contact with the grooved and ridged surface. The results obtained for the 0.4 microns deep groove compare well with those reported by Elsharkawy and Hamrock for an EHD lubricated contact. The effect of translating the counterface on the half space as opposed to indenting the half space with the counter face with no translation is studied. The stress and strain values near the surface are found to be similar for the two cases, whereas they are significantly different in the subsurface. It is seen that when tiny shoulders are introduced at the edge of the groove in the finite element model, the incremental plasticity and residual stresses are significantly higher in the vicinity of the right shoulder (rolling direction is from left to right) than at the left shoulder. This may explain the experimental observation that the spall nucleation occurs at the exit end of the artificially planted indents. Pure rolling calculations are compared with rolling + sliding calculations. For a coefficient of friction, mu = 0.1, the effect of friction is found to be small. Efforts were made to identify the material constitutive relations which best describe the deformation characteristics of the bearing steels in the initial few cycles. Elastic-linear-kinematic hardening-plastic (ELKP) material constitutive relations produce less net plastic deformation in the initial stages for a given stress, than seen in experiments. A new set of constitutive relations: non-linear-kinematic hardening-plastic (NLKP) was used. This material model produces more plasticity than the ELKP model and shows promise for treating the net distortions in the early stages. Techniques for performing experimental measurements that can be compared with the finite element calculations were devised. The measurements are being performed on 9mm-diameter, 440C steel cylindrical rolling elements in contact with 12.5 mm-diameter, 52100 steel balls in a 3-ball-rod fatigue test machine operating at 3600 RPM. Artificial, 7 microns deep, indents were inserted on the running track of the cylindrical rolling elements and profilometer measurements of these indents made, before and after the rolling. These preliminary measurements show that the indents are substantially deformed plastically in the process of rolling. The deformations of the groove calculated with the finite element model are comparable to those measured experimentally.

Gupta, V.↗

NASA NTRS2007

Optomechanical Design and Analysis Considerations on the Lunar Orbiter Laser Altimeter

This paper presents the mechanical design and analysis work completed on the Lunar Orbiter Laser Altimeter (LOLA). LOLA is one of six instruments on the Lunar Reconnaissance Orbiter (LRO), scheduled to launch in 2008. LOLA's main objective is to produce a high-resolution global lunar topographic model to aid in safe landings and enhance surface mobility in future exploration missions. LOLA will also look for evidence of ice water in the permanently shadowed regions around the lunar poles. Beryllium was chosen as the primary material for the LOLA Optical Transmitter Assembly to take advantage of the material's low mass density for light weight optical instrument design and for CTE matching of the refractive optical components. In addition, the thermal conductivity and specific heat of beryllium minimizes thermal gradients and thermal excursions. Special consideration must be made for the planning and preparation to fabricate beryllium components, as well as the preparation and cleaning of the components for gold plating. Assembly challenges include handling, precision cleaning and integration and testing. Structural analysis considerations include following General Environmental Verification Specification (GEVS) guidelines for GSFC payloads. The GEVS random environment for LOLA has an acceptance level of 10.0 Grms, which was analyzed for higher frequency transients. The low frequency transients were analyzed using a Mass Acceleration Curve to obtain an equivalent static loading. In addition, Structural-Thermal-Optical analysis, commonly referred to as STOP analysis, was completed to predict optical performance under the instrument's operational thermal environment. This included stress and distortion analysis on the receiver telescope lens.

Schmidt. Stephen↗

DOE OSTI2020

Bimetallics in a Nutshell: Complexes Supported by Chelating Naphthyridine-Based Ligands

Bimetallic motifs are a structural feature common to some of the most effective and synthetically useful catalysts known, including in the active sites of many metalloenzymes and on the surfaces of industrially relevant heterogeneous materials. However, the complexity of these systems often hampers detailed studies of their fundamental properties. To glean valuable mechanistic insight into how these catalysts function, this research group has prepared a family of dinucleating 1,8-naphthyridine ligands that bind two first-row transition metals in close proximity, originally designed to help mimic the proposed active site of metal oxide surfaces. Of the various bimetallic combinations examined, dicopper(I) is particularly versatile, as neutral bridging ligands adopt a variety of different binding modes depending on the configuration of frontier orbitals available to interact with the Cu centers. Organodicopper complexes are readily accessible, either through the traditional route of salt metathesis or via the activation of tetraarylborate anions through aryl group abstraction by a dicopper(I) unit. The resulting bridging aryl complexes engage in C-H bond activations, notably with terminal alkynes to afford bridging alkynyl species. In this work, the μ-hydrocarbyl complexes are surprisingly tolerant of water and elevated temperatures. This stability was leveraged to isolate a species that typically represents a fleeting intermediate in Cu-catalyzed azide-alkyne coupling (CuAAC); reaction of a bridging alkynyl complex with an organic azide afforded the first example of a well-defined, symmetrically bridged dicopper triazolide. This complex was shown to be an intermediate during CuAAC, providing support for a proposed bimetallic mechanism. These platforms are not limited to formally low oxidation states; chemical oxidation of the hydrocarbyl complexes cleanly results in formation of mixed valence Cu I Cu II complexes with varying degrees of distortion in both the bridging moiety and the dicopper core. Higher oxidation states, e.g. , dicopper(II), are easily accessed via oxidation of a dicopper(I) compound with air to give a Cu II 2 (μ-OH) 2 complex. Reduction of this compound with silanes resulted in the unexpected formation of pentametallic copper(I) dihydride clusters or trimetallic monohydride complexes, depending on the nature of the silane. Finally, development of an unsymmetrical naphthyridine ligand with mixed donor side-arms enables selective synthesis of an isostructural series of six heterobimetallic complexes, demonstrating the power of ligand design in the preparation of heterometallic assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1958

Investigation of an underslung half-cone inlet with compression surface mounted outboard from fuselage at Mach numbers of 1.5, 1.8, and 2.0

An investigation was conducted to determine the performance of an underslung half-cone inlet mounted on a missile forebody model with the compression surface outboard from the fuselage. The inlet was designed for shock-on-lip operation at Mach number 2.0 with 25 degree half-angle spike. The cowling was attached to the fuselage through the boundary-layer plow and served as part of the fuselage boundary-layer diverter system. The performance of the half-cone inlet was compared with that of a scoop-type inlet and a normal-wedge inlet on a maximum-thrust-minus-drag basis. The increase in pressure recovery obtained with the half-cone inlet over that obtained with the reference inlets offset the slightly higher drags observed over the Mach number range for the half-cone so that the performance of this configuration was equal to that of the other inlets at Mach number 2.0 and was slightly superior at the lower Mach numbers. For a particular configuration, a peak pressure recovery of 0.879 was obtained at Mach number 2.0, zero angle of attack, and 4-percent throat bleed; the subcritical stability was 16 percent. Use of a fuselage-mounted boundary-layer splitter plate ahead of the inlet did not improve the stability. Subcritical distortion values were below 10 percent for all configurations. (author)

Yeager, Richard A↗

DOE OSTI2023

Gas-mediated trace element incorporation into rhyolite-hosted topaz: A synchrotron microbeam XAS study

Magmatic gas exsolving during late-stage cooling of shallow magmas has been considered an important facilitator of low-pressure alteration and metal transport. However, the chemical properties of such gas, particularly its metal transport mechanisms and capacity, remain elusive. Trace elements in minerals produced by gas-mediated surface reaction or precipitation from gas capture details of gas composition and reaction pathways. However, interpretation of mineral trace element contents is dependent on understanding crystallographic controls on gas/mineral partitioning. Here, this work investigates the structural accommodation of As, Mn, Ga, Ge, Fe, and Ti in vapor-deposited topaz of vesicular topaz rhyolite from the Thomas Range, Utah, through single-crystal synchrotron microbeam X-ray techniques on picogram quantities of those trace elements. X-ray absorption near edge structure (XANES) data indicates that these elements are incorporated into topaz as As 5+ , Fe 3+ , Mn 3+ , Ti 4+ , Ga 3+ , and Ge 4+ . Extended X-ray absorption fine structure (EXAFS) analysis for these trace elements, compared to EXAFS of structural Al and Si, reveals that As 5+ and Ge 4+ are incorporated directly into the tetrahedral site of the topaz structure, with the octahedral site accommodating Mn 3+ , Fe 3+ , Ga 3+ , and Ti 4+ . For As 5+ and Fe 3+ , the structural impact of substitution extends to at least second neighbors (other elements were only resolvable to first neighbors). Further interpretation of the EXAFS results suggests that the substitution of Ti 4+ results in increased distortion of the octahedral site, while the other trace elements induce more uniform expansion correlating in magnitude to their ionic radius. Comparison of quantified X-ray fluorescence (XRF) data for two topaz crystals from this rhyolite reveals variable trace element concentrations for As 5+ , Fe 3+ , Ga 3+ , and Ti 4+ , reflective of a source gas undersaturated in these trace elements changing in concentration over the period of topaz deposition. The identical Ge 4+ content of the two topaz crystals suggests that Ge 4+ in the gas was buffered by the growth of another Ge 4+ -bearing phase, such as quartz. The very low Mn 3+ content in the topaz crystals does not reflect the abundance of Mn 3+ in the gas (saturation of Mn is evidenced by coexisting bixbyite). Instead, it suggests a strong Jahn-Teller inhibitory effect to the substitution of Mn 3+ for Al 3+ in the distorted octahedral site of topaz. It is proposed that exsolution of an HF-enriched gas from cooling rhyolitic magma led to local scouring of Al, Si, and trace metals from the magma. Once topaz crystals nucleated, self-catalyzed reactions that recycle HF led to continued growth of topaz.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Temporally continuous thermofluidic–thermomechanical modeling framework for metal additive manufacturing

Additive manufacturing (AM) is known to generate large magnitudes of residual stresses (RS) within builds due to steep and localized thermal gradients. In the current state of commercial AM technology, manufacturers generally perform heat treatments in effort to reduce the generated RS and its detrimental effects on part distortion and in-service failure. Computational models that effectively simulate the deposition process can provide valuable insights to improve RS distributions. Accordingly, it is common to employ Computational fluid dynamics (CFD) models or finite element (FE) models. While CFD can predict geometric and thermal-fluid behavior, it cannot predict the structural response (e.g., stress–strain) behavior. On the other hand, an FE model can predict mechanical behavior, but it lacks the ability to predict geometric and fluid behavior. Thus, an effectively integrated thermofluidic–thermomechanical modeling framework that exploits the benefits of both techniques while avoiding their respective limitations can offer valuable predictive capability for AM processes. In contrast to previously published efforts, the work herein describes a one-way coupled CFD-FEA framework that abandons major simplifying assumptions, such as geometric steady-state conditions, the absence of material plasticity, and the lack of detailed RS evolution/accumulation during deposition, as well as insufficient validation of results. Here, the presented framework is demonstrated for a directed energy deposition (DED) process, and experiments are performed to validate the predicted geometry and RS profile. Both single- and double-layer stainless steel 316L builds are considered. Geometric data is acquired via 3D optical surface scans and X-ray micro-computed tomography, and residual stress is measured using neutron diffraction (ND). Comparisons between the simulations and measurements reveal that the described CFD-FEA framework is effective in capturing the coupled thermomechanical and thermofluidic behaviors of the DED process. The methodology presented is extensible to other metal AM processes, including power bed fusion and wire-feed-based AM.

42 ENGINEERING↗

NASA NTRS2007

Experimental Evaluation of an Isolated Synthetic Jet IN Crossflow

The second case for this workshop builds upon the isolated synthetic jet of Case 1 by adding a crossflow, with no streamwise pressure gradient, for the developing jet to interact with. Formally, Case 2 examines the interaction of a single, isolated, synthetic jet and a fully turbulent zero-pressure gradient boundary layer. The resulting flow has many of the characteristics that need to be modeled with fidelity if the results of the calculations are to serve as the basis for research and design with active flow control devices. These include the turbulence in the boundary layer, the time-evolution of the large vortical structure emanating from the jet orifice and its subsequent interaction with and distortion by the boundary layer turbulence, and the effect of the suction cycle on the boundary layer flow. In a synthetic jet, the flow through the orifice and out into the outer flowfield alternates between an exhaust and a suction cycle, driven by the contraction and expansion of a cavity internal to the actuator. In the present experiment, the volume changes in the internal cavity are accomplished by replacing one of the rigid walls of the cavity, the wall opposite the orifice exit, with a deformable wall. This flexible wall is driven by a bottom-mounted moveable piston. The piston is driven electro-mechanically. The synthetic jet issues into the external flow through a circular orifice. In the present experiment, this orifice has a diameter of 0.250 inches (6.35 mm). The flow is conceptually similar to that documented in Schaeffler [1]. To document the flow, several measurement techniques were utilized. The upstream boundary conditions (in-flow conditions), and several key phase-averaged velocity profiles were measured with a 3-component laser-Doppler velocimetry system. Phase-averaged velocity field measurements were made with both stereo digital particle image velocimetry and 2-D digital particle image velocimetry as the primary measurement system. Surface pressure measurements were made utilizing an electronically scanned pressure system.

Schaeffler, Norman W.↗

NASA NTRS2013

Open Rotor Aeroacoustic Installation Effects for Conventional and Unconventional Airframes

As extensive experimental campaign was performed to study the aeroacoustic installation effects of an open rotor with respect to both a conventional tube and wing type airframe and an unconventional hybrid wing body airframe. The open rotor rig had two counter rotating rows of blades each with eight blades of a design originally flight tested in the 1980s. The aeroacoustic installation effects measured in an aeroacoustic wind tunnel included those from flow effects due to inflow distortion or wake interaction and acoustic propagation effects such as shielding and reflection. The objective of the test campaign was to quantify the installation effects for a wide range of parameters and configurations derived from the two airframe types. For the conventional airframe, the open rotor was positioned in increments in front of and then over the main wing and then in positions representative of tail mounted aircraft with a conventional tail, a T-tail and a U-tail. The interaction of the wake of the open rotor as well as acoustic scattering results in an increase of about 10 dB when the rotor is positioned in front of the main wing. When positioned over the main wing a substantial amount of noise reduction is obtained and this is also observed for tail-mounted installations with a large U-tail. For the hybrid wing body airframe, the open rotor was positioned over the airframe along the centerline as well as off-center representing a twin engine location. A primary result was the documentation of the noise reduction from shielding as a function of the location of the open rotor upstream of the trailing edge of the hybrid wing body. The effects from vertical surfaces and elevon deflection were also measured. Acoustic lining was specially designed and inserted flush with the elevon and airframe surface, the result was an additional reduction in open rotor noise propagating to the far field microphones. Even with the older blade design used, the experiment provided quantification of the aeroacoustic installation effects for a wide range of open rotor and airframe configurations and can be used with data processing methods to evaluate the aeroacoustic installation effects for open rotors with modern blade designs.

Czech, Michael J.↗