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At least 1,369 records · Page 76

Atmosphere Entries with Vehicle Lift-Drag Ratio Modulated to Limit Deceleration and Rate of Deceleration: Vehicles with Maximum Lift-Drag Ratio of 0.5

An analysis has been made of atmosphere entries for which the vehicle lift-drag ratio was modulated to maintain specified maximum decelerations and/or maximum deceleration rates. The part of the vehicle drag polar used during modulation was from maximum lift coefficient to minimum drag coefficient. The entries were at parabolic velocity and the vehicle maximum lift-drag ratio was 0.5. Two-dimensional trajectory calculations were made for a nonrotating, spherical earth with an exponential atmosphere. The results of the analysis indicate that for a given initial flight-path angle, modulation generally resulted in a reduction of the maximum deceleration to 60 percent of the unmodulated value or a reduction of maximum deceleration rate to less than 50 percent of the unmodulated rate. These results were equivalent, for a maximum deceleration of 10 g, to lowering the undershoot boundary 24 miles with a resulting decrease in total convective heating to the stagnation point of 22 percent. However, the maximum convective heating rate was increased 18 percent; the maximum radiative heating rate and total radiative heating were each increased about 10 percent.

Katzen, Elliott D.↗

Some Advanced Concepts in Discrete Aerodynamic Sensitivity Analysis

An efficient incremental iterative approach for differentiating advanced flow codes is successfully demonstrated on a two-dimensional inviscid model problem. The method employs the reverse-mode capability of the automatic differentiation software tool ADIFOR 3.0 and is proven to yield accurate first-order aerodynamic sensitivity derivatives. A substantial reduction in CPU time and computer memory is demonstrated in comparison with results from a straightforward, black-box reverse-mode applicaiton of ADIFOR 3.0 to the same flow code. An ADIFOR-assisted procedure for accurate second-rder aerodynamic sensitivity derivatives is successfully verified on an inviscid transonic lifting airfoil example problem. The method requires that first-order derivatives are calculated first using both the forward (direct) and reverse (adjoinct) procedures; then, a very efficient noniterative calculation of all second-order derivatives can be accomplished. Accurate second derivatives (i.e., the complete Hesian matrices) of lift, wave drag, and pitching-moment coefficients are calculated with respect to geometric shape, angle of attack, and freestream Mach number.

Taylor, Arthur C., III↗

Breaking the Linear Scaling Relations for the Oxygen Reduction Reaction with a Dual‐Atom Catalyst Composed of a MnFe‐Porphyrrole Aerogel

Bimetallic catalysts offer enhanced catalytic performance through synergistic interactions between the two metals, allowing them to break the linear scaling relations and reach high electrocatalytic activity. This study presents bimetallic aerogel-based catalyst synthesized as a covalent, three-dimensional framework containing neighboring iron and manganese sites. The aerogel structure provides a high surface area and porosity, facilitating an ultra-high active site density and efficient mass transport. The MnFe porphyrrole's unique structure is obtained by alternately linking Mn-porphyrin and Fe-corrole complexes. It exhibited outstanding performance with an onset potential of 0.99 V RHE . Comparative studies with a free-base Fe porphyrrole catalyst (E onset 0.97 V RHE ) revealed that while Mn incorporation led to only a slight improvement in half-cell performance, it resulted in significantly enhanced performance in anion exchange membrane fuel cell. The MnFe catalyst achieved an OCV of 0.97 V and a peak power density of 0.27 W cm −2 , outperforming the free-base Fe counterpart. Using density functional theory calculations, we show that the higher ORR activity of MnFe-porphyrrole is due to charge transfer between Mn and Fe atoms, which is absent in the reference free-base Fe-porphyrrole. These findings underscore the advantages of bimetallic catalysts in improving ORR activity and fuel cell efficiency by leveraging synergistic effects.

Aerogel↗

Prediction of Drag Reduction in Supersonic and Hypersonic Flows with Counterflow Jets

Computational fluid dynamics solutions of the flowfield of a truncated cone-cylinder with and without counterflow jets have been obtained for the short penetration mode (SPM) and long penetration mode (LPM) of the freestream-counterflow jet interaction flowfield. For the case without the counterflow jet, the comparison of the normalized surface pressures showed very good agreement with experimental data. For the case with the SPM jet, the predicted surface pressures did not compare as well with the experimental data upstream of the expansion corner, while aft of the expansion corner, the comparison of the solution and the data is seen to give much better agreement. The difference in the prediction and the data could be due to the transient character of the jet penetration modes, possible effects of the plasma physics that are not accounted for here, or even the less likely effect of flow turbulence, etc. For the LPM jet computations, one-dimensional isentropic relations were used to derived the jet exit conditions in order to obtain the LPM solutions. The solution for the jet exit Mach number of 3 shows a jet penetration several times longer than that of the SPM, and therefore much weaker bow shock, with an attendant reduction in wave drag. The LPM jet is, in essence, seen to be a "pencil" of fluid, with much higher dynamic pressure, embedded in the oncoming supersonic or hypersonic freestream. The methodology for determining the conditions for the LPM jet could enable a practical approach for the design and application of counterflow LPM jets for the reduction of wave drag and heat flux, thus significantly enhancing the aerodynamic characteristics and aerothermal performance of supersonic and hypersonic vehicles. The solutions show that the qualitative flow structure is very well captured. The obtained results, therefore, suggest that counterflowing jets are viable candidate technology concepts that can be employed to give significant reductions in wave drag, heat flux, and other attendant aerodynamic benefits.

Daso, Endwell O.↗

Carbon nanotube-linked hollow carbon nanospheres doped with iron and nitrogen as single-atom catalysts for the oxygen reduction reaction in acidic solutions

Non-noble metal electrocatalysts toward the oxygen reduction reaction (ORR) are highly required to substitute expensive Pt/C as the cathode of proton exchange membrane fuel cells. However, the relatively low ORR activity of Pt-free catalysts under acidic conditions is the major issue. Herein, we engineered a three-dimensional structure consisting of atomically dispersed Fe, N-doped hollow carbon nanospheres linked by carbon nanotubes as an electrocatalyst for the ORR. Benefiting from the unique structure and high-density atomic Fe–N x sites, this new type of electrocatalyst showed an impressive ORR half-wave potential of 0.84 V and kinetic current density of 13.1 mA cm -2 at a potential of 0.8 V in acidic media, which was even better those of commercial Pt/C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electroelastic investigation of drying rate in the direct contact ultrasonic fabric dewatering process

Ultrasonic vibrations, used to atomize liquids into a fine mist, are a promising solution for the future of efficient clothes drying technology. The world’s first ultrasonic dryer—demonstrated by researchers at Oak Ridge National Laboratory—successfully applies the scientific principles behind ultrasonic drying, and several working prototypes have been demonstrated. This technology is based on direct mechanical coupling between mesh piezoelectric transducers and wet fabric. During the atomization process, vertical oscillations of a contained liquid, called Faraday excitations, result in the formation of standing waves on the liquid surface. At increasing amplitudes and frequencies of oscillation, wave peaks become extended and form “necks” connecting small secondary droplets to the bulk liquid. When the oscillation reaches an acceleration threshold, the droplet momentum is sufficient to break the surface tension of the neck and enable the droplets to travel away from the liquid. In this work, we investigate the atomization process using an ultrasonic transducer as it pertains to moisture retained within a fabric. An experimentally validated electromechanical analytical-numerical model is proposed. This model bridges the vibrations of a piezoelectric mesh transducer to the critical acceleration needed for fabric drying to occur. Then, the drying rate model is developed, consisting of an initial nonlinear region due to atomization, followed by a linear thermal evaporation region. The models developed identify the influence of key parameters on ultrasonic drying and will aid in improving atomizer design for efficient, timely fabric drying. This study is the first proposed model for the ultrasonic atomization of fabrics saturated with water, applicable to any type of transducer. The results present a non-dimensional equation for the ultrasonic dewatering of fabrics, dependent only on transducer acceleration and the surface area of the cloth. Furthermore, the development of this technology using the proposed physical models will allow for global reductions in electrical demand related to clothes drying.

42 ENGINEERING↗

Oxygen surfactant-assisted growth and dewetting of Co films on O-3 × 3/W(111)

Following the cyclic heating in oxygen and annealing, an oxygen-induced 3 × 3 reconstruction was found on the W(111) surface. The growth, crystalline structure, thermal stability, and magnetism of Co ultrathin films deposited on the O-3 × 3/W(111) surface were investigated. The Auger signal of the oxygen was always observable and nearly invariant after either Co deposition or annealing, indicating the role of the surfactant played by oxygen. Auger electron spectroscopy and scanning tunneling microscopy measurements revealed the 2-dimensional growth of Co on O-3 × 3/W(111). Following the annealing procedures, the surfactant oxygen was always observed to float on the film surface while the Co film transformed to 3-dimensional islands with a wetting layer. In contrast to the thermodynamically stable wetting layer of 1 physical monolayer (PML) Co on clean W(111) between 700 and 1000 K, the oxygen surfactant led to a reduction of the wetting layer to ≈1/3 PML after thermal annealing. The 6 and 9.6 PML Co/O-3 × 3/W(111) revealed a stable in-plane magnetic anisotropy. A 6-fold symmetry corresponding to the crystalline structure was observed in the in-plane angle-dependent magneto-optical Kerr effect measurement.

36 MATERIALS SCIENCE↗

Time evolution of nonplanar dust ion-acoustic solitary waves in a charge varying dusty plasma with superthermal electrons

A theoretical study on the nonlinear propagation of nonplanar (cylindrical and spherical) dust ion-acoustic solitary waves (DIASW) is carried out in a dusty plasma, whose constituents are inertial ions, superthermal electrons, and charge fluctuating stationary dust particles. Using the reductive perturbation theory, a modified Korteweg-de Vries equation is derived. It is shown that the propagation characteristics of the cylindrical and spherical DIA solitary waves significantly differ from those of their one-dimensional counterpart.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Effect of outer divertor leg detachment on the high field side scrape-off layer in DIII-D and ASDEX Upgrade

In this work, evidence is presented that detachment of the outer divertor leg leads to a reduction of electron density and neutral pressure in the high-field side (HFS) scrape-off layer (SOL) of the ASDEX Upgrade (AUG) and DIII-D tokamaks with ion $B$ x $∇B$ drift directed toward the X-point (favorable configuration). These results are observed across multiple diagnostics and without the use of impurity seeding to reach detachment. In AUG, outer divertor leg detachment correlates with a decrease in electron density near the separatrix at the inner midplane, measured with HFS reflectometry. A concurrent reduction in inner divertor density and neutral pressure at the inner target is observed using divertor Thomson scattering and neutral pressure gauges. These effects are present in both L- and H-mode plasmas. In DIII-D, a similar reduction is detected through analysis of line-integrated hydrogenic emission measured by multiple diagnostics in the HFS SOL close to the separatrix. The consistent trends in both devices indicate that high electron density and strong hydrogenic emissivity in the HFS SOL are common features of H-mode plasmas in the favorable configuration, independent of wall material and divertor geometry. In L-mode plasmas, the reduction in electron density and neutral pressure is not observed in DIII-D, possibly due to differences in wall material. These results emphasize the importance of the divertor state in determining the two-dimensional neutral distribution and edge fueling.

detachment↗

POWTEX visits POWGEN

The high-intensity time-of-flight (TOF) neutron diffractometer POWTEX for powder and texture analysis is currently being built prior to operation in the eastern guide hall of the research reactor FRM II at Garching close to Munich, Germany. Because of the world-wide 3 He crisis in 2009, the authors promptly initiated the development of 3 He-free detector alternatives that are tailor-made for the requirements of large-area diffractometers. Herein is reported the 2017 enterprise to operate one mounting unit of the final POWTEX detector on the neutron powder diffractometer POWGEN at the Spallation Neutron Source located at Oak Ridge National Laboratory, USA. As a result, presented here are the first angular- and wavelength-dependent data from the POWTEX detector, unfortunately damaged by a 50 g shock but still operating, as well as the efforts made both to characterize the transport damage and to successfully recalibrate the voxel positions in order to yield nonetheless reliable measurements. Also described is the current data reduction process using the PowderReduceP2D algorithm implemented in Mantid [Arnold et al. (2014). Nucl. Instrum. Methods Phys. Res. A , 764 , 156–166]. The final part of the data treatment chain, namely a novel multi-dimensional refinement using a modified version of the GSAS-II software suite [Toby & Von Dreele (2013). J. Appl. Cryst. 46 , 544–549], is compared with a standard data treatment of the same event data conventionally reduced as TOF diffraction patterns and refined with the unmodified version of GSAS-II . This involves both determining the instrumental resolution parameters using POWGEN's powdered diamond standard sample and the refinement of a friendly-user sample, BaZn(NCN) 2 . Although each structural parameter on its own looks similar upon comparing the conventional (1D) and multi-dimensional (2D) treatments, also in terms of precision, a closer view shows small but possibly significant differences. For example, the somewhat suspicious proximity of the a and b lattice parameters of BaZn(NCN) 2 crystallizing in Pbca as resulting from the 1D refinement (0.008 Å) is five times less pronounced in the 2D refinement (0.038 Å). Similar features are found when comparing bond lengths and bond angles, e.g. the two N—C—N units are less differently bent in the 1D results (173 and 175°) than in the 2D results (167 and 173°). The results are of importance not only for POWTEX but also for other neutron TOF diffractometers with large-area detectors, like POWGEN at the SNS or the future DREAM beamline at the European Spallation Source.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-scale theory-assisted nano-engineering of plasmonic-organic hybrid electro-optic device performance

Multi-scale (correlated quantum and statistical mechanics) modeling methods have been advanced and employed to guide the improvement of organic electro-optic (OEO) materials, including by analyzing electric field poling induced electro-optic activity in nanoscopic plasmonic-organic hybrid (POH) waveguide devices. The analysis of in-device electro-optic activity emphasizes the importance of considering both the details of intermolecular interactions within organic electro-optic materials and interactions at interfaces between OEO materials and device architectures. Dramatic improvement in electro-optic device performance--including voltage-length performance, bandwidth, energy efficiency, and lower optical losses have been realized. These improvements are critical to applications in telecommunications, computing, sensor technology, and metrology. Multi-scale modeling methods illustrate the complexity of improving the electro-optic activity of organic materials, including the necessity of considering the trade-off between improving poling-induced acentric order through chromophore modification and the reduction of chromophore number density associated with such modification. Computational simulations also emphasize the importance of developing chromophore modifications that serve multiple purposes including matrix hardening for enhanced thermal and photochemical stability, control of matrix dimensionality, influence on material viscoelasticity, improvement of chromophore molecular hyperpolarizability, control of material dielectric permittivity and index of refraction properties, and control of material conductance. Consideration of new device architectures is critical to the implementation of chipscale integration of electronics and photonics and achieving the high bandwidths for applications such as next generation (e.g., 5G) telecommunications.

Engineering↗

Gradient-Free Construction of Active Subspaces for Dimension Reduction in Complex Models with Applications to Neutronics

Recent developments in the field of reduced-order modeling---and, in particular, active subspace construction---have made it possible to efficiently approximate complex models by constructing low-order response surfaces based upon a small subspace of the original high-dimensional parameter space. These methods rely upon the fact that the response tends to vary more prominently in a few dominant directions defined by linear combinations of the original inputs, allowing for a rotation of the coordinate axis and a consequent transformation of the parameters. In this work, we discuss a gradient-free active subspace algorithm that is feasible for high-dimensional parameter spaces where finite-difference techniques are impractical. This analysis extends the gradient-free algorithm introduced in [A. Lewis, R. Smith, and B. Williams, Comput. Math. Appl., 72 (2016), pp. 1603--1615] in two significant ways: (i) we introduce an initialization algorithm to identify lower-dimensional subspaces of influential directions to seed the gradient-free algorithm for high-dimensional problems, and (ii) we analyze dimension selection criteria to verify the algorithms. Finally, we illustrate the initialized gradient-free active subspace algorithm for a neutronics example implemented with SCALE6.1 for input dimensions up to 7700.

97 MATHEMATICS AND COMPUTING↗

Development of a Novel Magnesium Alloy for Thixomolding® of Automotive Components (Final Report)

Magnesium (Mg) alloy die-castings are increasingly used in the automobile industry to achieve cost effective mass reduction, especially in systems where multiple components can be integrated into a single thin wall die-casting. However, there are several component quality restrictions in thin-walled Mg die castings, including variability in dimensional accuracy, part-to-part variation in mechanical properties, and porosity in the final part, which has limited the continued growth of die-cast components in the automobile industry. An alternative to die-casting is the process of thixomolding®. While the die-casting process relies on filling a mold at high speeds with the alloy in the completely molten state, the thixomolding® process fills a mold with a thixotropic alloy in a semi-solid slurry state at a temperature between the liquidus and solidus temperatures. Ideally, the material should be ~30–65% solid rather than being completely liquid at the beginning of the injection process. Advantages of the thixomolding® process include a finer grain structure, lower porosity, improved dimensional accuracy, improved part-to part consistency, improved mechanical properties, particularly ductility in the component, the ability to reduce wall thickness for mass savings, and longer tool life due to lower process temperatures. The objective of this collaborative project between Oak Ridge National Laboratory, FCA US LLC, and Leggera Technologies was to develop one or more novel Mg alloys more suitable for thixomolding® automotive structural components than the current die-casting alloys used for this process. The primary interest was to improve ductility while maintaining tensile and fatigue strengths, as these are properties that are critical for use in body and chassis structural applications. Since good corrosion resistance is also desirable for this application, this property was also considered when evaluating promising alloy compositions. An initial evaluation of existing components thixomolded® using AM60 was performed and microstructure, and tensile properties were evaluated for the baseline alloy. Targets were established for ease of processing (characterized by the melting range defined as the difference between the liquidus and the solidus), strength, and ductility. Computational modeling was used to identify promising alloys and selected alloys were cast in laboratory scale heats. Properties measured from laboratory scale heats were used to down-select two alloys for further evaluation and component fabrication. Two alloys were prepared in industrial scale heats, cut into small pieces (chips), and thixomolding® trials were initiated. Trial components were successfully fabricated using one alloy composition, but it was concluded that further refinement of the thixomolding® process parameters are required to successfully fabricate component using second alloy. Microstructure and mechanical properties were evaluated on the material removed from the fabricated component and properties were compared to the baseline alloy. Although mechanical properties of the alloys showed improvement over the baseline alloy, it was determined that modifications to the thixomolding® process would result in better microstructure control with further improvement in properties leading to successful commercialization. A provisional patent application has already been filed on the new alloys developed as part of the project.

36 MATERIALS SCIENCE↗

Dimensional analysis considerations in the engine rotor fragment containment/deflection problem

Dimensional analysis techniques are described and applied to the containment/deflection problem of bursting high-rpm rotating parts of turbojet engines. The use of dimensional analysis to select a feasible set of experiments and to determine the important parameters to be varied is presented. The determination of a containment coefficient based on the nondimensionalized parameters is developed for the reduction of experimental data and as an assist to designers of containment/deflection devices.

Leech, J. W.↗

The transonic multi-foil Augmentor-Wing

The paper describes the development of a transonic blown multi-foil Augmentor-Wing airfoil section that has a thickness/chord (t/c) value of 0.18. In comparison with an unblown single-foil supercritical section of the same overall t/c the new multi-foil section is characterized by an increased drag rise Mach number, increased buffet boundaries, and a reduction in 'effective' drag due to blowing. Potential advantages of the Augmentor-Wing are considered and the testing of three high-speed models in a trisonic pressurized wind tunnel (possessing a two-dimensional transonic insert) is discussed. The data indicate that a very thick wing is feasible since separations toward the rear of the main foil can be controlled both by shroud location and augmentor blowing.

Farbridge, J. E.↗

International Planetary Patrol observations of Saturn's rings. I - Observations and data reduction

The paper describes the reduction procedure used for observations of Saturn's rings taken with the International Planetary Patrol Network in 1977. Corrections for atmospheric smearing are determined using an assumed ring model and performed by a two-dimensional Wiener filter developed at JPL's Image Processing Laboratory. These smearing corrections are shown to be consistent with the radial profile of the rings, not just on the major axis of the ring system, but over a range of azimuthal angle.

Lumme, K.↗

Multi-scale theory-assisted nano-engineering of plasmonic-organic hybrid electro-optic device performance

Multi-scale (correlated quantum and statistical mechanics) modeling methods have been advanced and employed to guide the improvement of organic electro-optic (OEO) materials, including by analyzing electric field poling induced electro-optic activity in nanoscopic plasmonic-organic hybrid (POH) waveguide devices. The analysis of in-device electro-optic activity emphasizes the importance of considering both the details of intermolecular interactions within organic electro-optic materials and interactions at interfaces between OEO materials and device architectures. Dramatic improvement in electro-optic device performance--including voltage-length performance, bandwidth, energy efficiency, and lower optical losses have been realized. These improvements are critical to applications in telecommunications, computing, sensor technology, and metrology. Multi-scale modeling methods illustrate the complexity of improving the electro-optic activity of organic materials, including the necessity of considering the trade-off between improving poling-induced acentric order through chromophore modification and the reduction of chromophore number density associated with such modification. Computational simulations also emphasize the importance of developing chromophore modifications that serve multiple purposes including matrix hardening for enhanced thermal and photochemical stability, control of matrix dimensionality, influence on material viscoelasticity, improvement of chromophore molecular hyperpolarizability, control of material dielectric permittivity and index of refraction properties, and control of material conductance. Consideration of new device architectures is critical to the implementation of chipscale integration of electronics and photonics and achieving the high bandwidths for applications such as next generation (e.g., 5G) telecommunications.

Elder, Delwin L.↗

Leverage Score Sampling for Parametric PDEs (Final Technical Report)

This final technical report summarizes the accomplishments of work performed under DOE Office of Science Award DE-SC0022266, which is titled “Leverage Score Sampling for Parametric PDEs”. The goal of the project was to extend methods from Randomized Numerical Linear Algebra (RandNLA) to tackle central computational challenges in model order reduction and uncertainty quantification (UQ) for parametric partial differential equations (PDEs). In particular, we sought to use importance sampling methods originally developed for RandNLA to develop sample efficient active learning algorithms for approximating high-dimensional scalar functions, e.g. by polynomials, Gaussian process models, and simple neural networks. Such methods can be immediately applied to developing surrogate models or to approximating quantity of interest (QoI) surfaces. In the context of PDEs, each sample used for learning equates to the solution of the differential equation for a particular set of parameters, so sample efficiency translates to improved computational efficiency for a variety of downstream tasks.

97 MATHEMATICS AND COMPUTING↗