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At least 73 records · Page 4

Computational studies of metal-metal and metal-ligand interactions

Accurate calculations on the bond length, dipole moment, and harmonic frequency of CO are presented, using large basis sets and high levels of electron correlation. The geometric structure, force constants and binding energies of Cr(CO)6 and Cr(CO)5 are computed using large basis sets and high levels of electron correlation. The molecule O4(+) is studied, using large basis sets and high levels of electron correlation, including the CASSCF, CASSI,and CASPT2 methods. Binding energies, geometries and frequencies are computed. Symmetry breaking is a particular problem for the antisymmetric stretch, which is addressed using the CASSI method. The symmetry breaking problem in O4(+) has also been studied using the Brueckner coupled-cluster method. This gives results in good agreement with CASSI. A multi-region numerical integration scheme is investigated for use in Density Functional Calculations. This scheme is found to give comparable results to a widely used scheme based on the Euler-Maclaurin technique.

Barnes, Leslie A.↗

Flow Instabilities in Feather Seals due to Upstream Harmonic Pressure Fluctuations

Feather seals (also called slot seals) typically found in turbine stators limit leakage from the platform into the core cavities and from the shroud to the case. They are of various geometric shapes, yet all are contoured to fit the aerodynamic shape of the stator and placed as close as thermomechanically reasonable the powerstream flow passage. Oscillations engendered in the compressor or combustor alter the steady leakage characteristics of these sealing elements and in some instances generate flow instabilities downstream of the seal interface. In this study, a generic feather seal geometry was studied numerically by imposing an upstream harmonic pressure disturbance on the simulated stator-blade gap. The flow and thermal characteristics were determined; it was found that for high pressure drops, large fluctuations in flows in the downstream blade-stator gap can occur. These leakages and pulsations in themselves are not all that significant, yet if coupled with cavity parameters, they could set up resonance events. Computationally generated time-dependent flow fields are captured in sequence video streaming.

Deng, D.↗

An Improved 360 Degree and Order Model of Venus Topography

We present an improved 360 degree and order spherical harmonic solution for Venus' topography. The new model uses the most recent set of Venus altimetry data with spacecraft positions derived from a recent high resolution gravity model. Geometric analysis indicates that the offset between the center of mass and center of figure of Venus is about 10 times smaller than that for the Earth, the Moon, or Mars. Statistical analyses confirm that the RMS topography follows a power law over the central part of the spectrum. Compared to the previous topography model, the new model is more highly correlated with Venus' harmonic gravity field.

Rappaport, Nicole J.↗

Ion cyclotron absorption at the second harmonic of the oxygen gyrofrequency

A hot ray tracing code (HOTRAY) is used to establish the ultimate demise of the wave energy generated inside the plasmasphere during storm conditions. The code uses the WKB approximation of geometric optics to calculate the paths of electromagnetic and electrostatic waves in a hot, multiion plasma. Ray tracing calculations with HOTRAY are detailed and path integrated absorption is discussed. Unducted waves which are preferentially generated in the field aligned direction are rapidly refracted to large wave normal angles. The waves are observed to reflect at frequencies between oxygen and helium gyrofrequencies once their frequency falls below the bi-ion frequency and the waves bounce back accross the equator. Either Landau resonance with plasmaspheric electrons or second harmonic cyclotron resonance with thermal oxygen ultimately absorb the wave energy. It is suggested that both processes may provide a significant heating mechanism for either population during a storm.

Horne, R. B.↗

Vibration-Based Data Used to Detect Cracks in Rotating Disks

Rotor health monitoring and online damage detection are increasingly gaining the interest of aircraft engine manufacturers. This is primarily due to the fact that there is a necessity for improved safety during operation as well as a need for lower maintenance costs. Applied techniques for the damage detection and health monitoring of rotors are essential for engine safety, reliability, and life prediction. Recently, the United States set the ambitious goal of reducing the fatal accident rate for commercial aviation by 80 percent within 10 years. In turn, NASA, in collaboration with the Federal Aviation Administration, other Federal agencies, universities, and the airline and aircraft industries, responded by developing the Aviation Safety Program. This program provides research and technology products needed to help the aerospace industry achieve their aviation safety goal. The Nondestructive Evaluation (NDE) Group of the Optical Instrumentation Technology Branch at the NASA Glenn Research Center is currently developing propulsion-system-specific technologies to detect damage prior to catastrophe under the propulsion health management task. Currently, the NDE group is assessing the feasibility of utilizing real-time vibration data to detect cracks in turbine disks. The data are obtained from radial blade-tip clearance and shaft-clearance measurements made using capacitive or eddy-current probes. The concept is based on the fact that disk cracks distort the strain field within the component. This, in turn, causes a small deformation in the disk's geometry as well as a possible change in the system's center of mass. The geometric change and the center of mass shift can be indirectly characterized by monitoring the amplitude and phase of the first harmonic (i.e., the 1 component) of the vibration data. Spin pit experiments and full-scale engine tests have been conducted while monitoring for crack growth with this detection methodology. Even so, published data are extremely limited, and the basic foundation of the methodology has not been fully studied. The NDE group is working on developing this foundation on the basis of theoretical modeling as well as experimental data by using the newly constructed subscale spin system shown in the preceding photograph. This, in turn, involved designing an optimal sub-scale disk that was meant to represent a full-scale turbine disk; conducting finite element analyses of undamaged and damaged disks to define the disk's deformation and the resulting shift in center of mass; and creating a rotordynamic model of the complete disk and shaft assembly to confirm operation beyond the first critical concerning the subscale experimental setup. The finite element analysis data, defining the center of mass shift due to disk damage, are shown. As an example, the change in the center of mass for a disk spinning at 8000 rpm with a 0.963-in. notch was 1.3 x 10(exp -4) in. The actual vibration response of an undamaged disk as well as the theoretical response of a cracked disk is shown. Experiments with cracked disks are continuing, and new approaches for analyzing the captured vibration data are being developed to better detect damage in a rotor. In addition, the subscale spin system is being used to test the durability and sensitivity of new NDE sensors that focus on detecting localized damage. This is designed to supplement the global response of the crack-detection methodology described here.

Gyekenyesi, Andrew L.↗

Optical Bound States in the Continuum Enabled by Magnetic Resonances Coupled to a Mirror

Dielectric metasurfaces made of high refractive index and low optical loss materials have emerged as promising platforms to achieve high-quality factor modes enabling strong light–matter interaction. Bound states in the continuum have shown potential to demonstrate narrow spectral resonances but often require asymmetric geometry and typically feature strong polarization dependence, complicating fabrication and limiting practical applications. Here, we introduce a novel approach for designing high-quality bound states in the continuum using magnetic dipole resonances coupled to a mirror. The resulting metasurface has simple geometric parameters requiring no broken symmetry. To demonstrate the unique features of our photonic platform we show a record-breaking third harmonic generation efficiency from the metasurface benefiting from the strongly enhanced electric field at high-quality resonances. Our approach mitigates the shortcomings of previous platforms with simple geometry enabling facile and large-area fabrication of metasurfaces paving the way for applications in optical sensing, detection, quantum photonics, and nonlinear devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Optical high-order harmonic generation as a structural characterization tool

Structural characterization is essential to material engineering, but few tools can detect structural properties in the time domain. High harmonic generation (HHG) emerges as a new frontier that touches the heart of condensed-matter physics from the symmetry to quantum geometrical nature of electrons, but its capability in structural characterization has not been materialized. Here, we establish a crucial connection between the symmetry of a material and the helicity of light. We employ monolayer MoS 2 as an example. In this work, we show that a linearly polarized laser pulse used in experiments is not ideal for structural characterization because it only generates in-plane anisotropy. It is the circularly polarized laser field that is capable of producing four distinctive HHG signals from the four phases of MoS 2 . This finally links the laser helicity to the crystal structure. The results are generic and are not affected by the Berry curvature, the interband or intraband contribution. Our study unleashes the power of HHG as a structural characterization tool for technologically important materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Artificial Neural Network Approach to Predict Rotor-Airframe Acoustic Waveforms

A surrogate artificial neural network/machine learning model was developed to predict the acoustic interaction for a fixed-pitch rotor in proximity to a downstream cylindrical airframe typical of small Unmanned Aerial System (sUAS) platforms. The model was trained to predict the acoustic waveform under representative hover conditions as a function of rotational speed, airframe proximity, and observer angle. Training data were acquired in an anechoic chamber on both isolated rotors and rotor-airframe configurations. Acoustic amplitude and phase of the revolution-averaged interaction were predicted, which required up to 25 harmonics to capture the impulse event caused by the blade’s approach and departure from the airframe. Prediction performance showed, on average, that the models could estimate the acoustic amplitude and phase over the relevant harmonics for unseen conditions with 86% and 75% accuracy, respectively, enabling a time domain reconstruction of the waveform for the range of geometric and flow parameters tested.

acoustics↗

An Artificial Neural Network Approach to Predict Rotor-Airframe Acoustic Waveforms

A surrogate artificial neural network/machine learning model was developed to predict the acoustic interaction for a fixed-pitch rotor in proximity to a downstream cylindrical airframe typical of small Unmanned Aerial System (sUAS) platforms. The model was trained to predict the acoustic waveform under representative hover conditions as a function of rotational speed, airframe proximity, and observer angle. Training data were acquired in an anechoic chamber on both isolated rotors and rotor-airframe configurations. Acoustic amplitude and phase of the revolution-averaged interaction were predicted, which required up to 25 harmonics to capture the impulse event caused by the blade’s approach and departure from the airframe. Prediction performance showed, on average, that the models could estimate the acoustic amplitude and phase over the relevant harmonics for unseen conditions with 86% and 75% accuracy, respectively, enabling a time domain reconstruction of the waveform for the range of geometric and flow parameters tested.

acoustics↗

Characterization of mechanical deformation in aluminum by optical second harmonic generation

Second harmonic generation (SHG), a laser-based surface technique, was used to characterize near-surface defect evolution associated with mechanical deformation in 2024-T3 aluminum due to tensile loads. Electron backscatter diffraction (EBSD) measurements were also performed to determine the geometrically necessary dislocation density before and after tensile deformation. Comparison of the EBSD and SHG results found that dislocation density and SHG signal are inversely proportional; tensile deformation in the plastic regime led to an increase in dislocation density and a decrease in SHG response. A similar trend was seen in the SHG results on as-received (unpolished) Al samples; SHG response decreases with extent of plastic deformation. Furthermore, this study suggests that SHG has potential as a nondestructive evaluation technique.

36 MATERIALS SCIENCE↗

Propulsion Design With Freeform Fabrication (PDFF)

The nation is challenged to decrease the cost and schedule to develop new space transportation propulsion systems for commercial, scientific, and military purposes. Better design criteria and manufacturing techniques for small thrusters are needed to meet current applications in missile defense, space, and satellite propulsion. The requirements of these systems present size, performance, and environmental demands on these thrusters that have posed significant challenges to the current designers and manufacturers. Designers are limited by manufacturing processes, which are complex, costly, and time consuming, and ultimately limited in their capabilities. The PDFF innovation vastly extends the design opportunities of rocket engine components and systems by making use of the unique manufacturing freedom of solid freeform rapid prototype manufacturing technology combined with the benefits of ceramic materials. The unique features of PDFF are developing and implementing a design methodology that uses solid freeform fabrication (SFF) techniques to make propulsion components with significantly improved performance, thermal management, power density, and stability, while reducing development and production costs. PDFF extends the design process envelope beyond conventional constraints by leveraging the key feature of the SFF technique with the capability to form objects with nearly any geometric complexity without the need for elaborate machine setup. The marriage of SFF technology to propulsion components allows an evolution of design practice to harmonize material properties with functional design efficiency. Reduced density of materials when coupled with the capability to honeycomb structure used in the injector will have significant impact on overall mass reduction. Typical thrusters in use for attitude control have 60 90 percent of its mass in the valve and injector, which is typically made from titanium. The combination of material and structure envisioned for use in an SFF thruster design could reduce thruster weight by a factor of two or more. The thrust-to-weight ratios for such designs can achieve 1,000:1 or more, depending on chamber pressure. The potential exists for continued development in materials, size, speed, accuracy of SFF techniques, which can lead to speculative developments of PDFF processes such as fabrication of custom human interface devices like masks, chairs, and clothing, and advanced biomedical application to human organ reconstruction. Other potential applications are: higher fidelity lower cost test fixtures for probes and inspection, disposable thrusters, and ISRU (in situ resource utilization) for component production in space or on Lunar and Martian missions, and application for embedding MEMS (microelectromechanical systems) during construction process of form changing aerostructure/dynamic structures.

Barnes, Daudi↗

Characterization and interaction of geometric and contact/impact nonlinearities in dynamical systems

Here, we study how a contact/impact nonlinearity interacts with a geometric cubic nonlinearity in an oscillator system. Specific focus is shown to the effects on bifurcation behavior and secondary resonances (i.e., super- and sub-harmonic resonances). The effects of the individual nonlinearities are first explored for comparison, and then the influences of the combined nonlinearities, varying one parameter at a time, are analyzed and discussed. Nonlinear characterization is then performed on an arbitrary system configuration to study super- and sub-harmonic resonances and grazing contacts or bifurcations. Both the cubic and contact nonlinearities cause a drop in amplitude and shift up in frequency for the primary resonance, and they activate high-amplitude subharmonic resonance regions. The nonlinearities seem to never destructively interfere. The contact nonlinearity generally affects the system’s superharmonic resonance behavior more, particularly with regard to the occurrence of grazing contacts and the activation of many bifurcations in the system’s response. The subharmonic resonance behavior is more strongly affected by the cubic nonlinearity and is prone to multistable behavior. Perturbation theory proved useful for determining when the cubic nonlinearity would be dominant compared to the contact nonlinearity. The limiting behaviors of the contact stiffness and freeplay gap size indicate the cubic nonlinearity is dominant overall. It is demonstrated that the presence of contact may result in the activation of several bifurcations. In addition, it is proved that the system’s subharmonic resonance region is prone to multistable dynamical responses having distinct magnitudes.

42 ENGINEERING↗

Plasma Generator Using Spiral Conductors

A plasma generator includes a pair of identical spiraled electrical conductors separated by dielectric material. Both spiraled conductors have inductance and capacitance wherein, in the presence of a time-varying electromagnetic field, the spiraled conductors resonate to generate a harmonic electromagnetic field response. The spiraled conductors lie in parallel planes and partially overlap one another in a direction perpendicular to the parallel planes. The geometric centers of the spiraled conductors define endpoints of a line that is non-perpendicular with respect to the parallel planes. A voltage source coupled across the spiraled conductors applies a voltage sufficient to generate a plasma in at least a portion of the dielectric material.

Szatkowski, George N.↗

Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of ion and electron distributions on etch profiles

The quality of high aspect ratio (HAR) features etched into dielectrics for microelectronics fabrication using halogen containing low temperature plasmas strongly depends on the energy and angular distribution of the incident ions (IEAD) onto the wafer, as well as potentially that of the electrons (EEAD). Positive ions, accelerated to high energies by the sheath electric field, have narrow angular spreads and can penetrate deeply into HAR features. Electrons typically arrive at the wafer with nearly thermal energy and isotropic angular distributions and so do not directly penetrate deeply into features. These differences can lead to positive charging of the insides of the features that can slow etching rates and produce geometric defects such as twisting. In this work, we computationally investigated the plasma etching of HAR features into SiO 2 using tailored voltage waveforms in a geometrically asymmetric capacitively coupled plasma sustained in an Ar/CF 4 /O 2 mixture at 40 mTorr. The tailored waveform consisted of a sinusoidal wave and its higher harmonics with a fundamental frequency of 1 MHz. We found that some degree of control of the IEADs and EEADs is possible by adjusting the phase of higher harmonics φ through the resulting generation of electrical asymmetry and electric field reversal. However, the IEADs and EEADs cannot easily be separately controlled. The control of IEADs and EEADs is inherently linked. The highest quality feature was obtained with a phase angle φ = 0° as this value generated the largest (most negative) DC self-bias and largest electric field reversal for accelerating electrons into the feature. That said, the consequences of voltage waveform tailoring (VWT) on etched features are dominated by the change in the IEADs. Although VWT does produce EEADs with higher energy and narrower angular spread, the effect of these electrons on the feature compared to thermal electrons is not large. Finally, this smaller impact of VWT produced EEADs is attributed to thermal electrons being accelerated into the feature by electric fields produced by the positive in-feature charging.

47 OTHER INSTRUMENTATION↗

Wireless sensing system for non-invasive monitoring of attributes of contents in a container

A wireless sensing system monitors the level, temperature, magnetic permeability and electrical dielectric constant of a non-gaseous material in a container. An open-circuit electrical conductor is shaped to form a two-dimensional geometric pattern that can store and transfer electrical and magnetic energy. The conductor resonates in the presence of a time-varying magnetic field to generate a harmonic response. The conductor is mounted in an environmentally-sealed housing. A magnetic field response recorder wirelessly transmits the time-varying magnetic field to power the conductor, and wirelessly detects the harmonic response that is an indication of at least one of level of the material in the container, temperature of the material in the container, magnetic permeability of the material in the container, and dielectric constant of the material in the container.

Woodard, Stanley E.↗

Finite element method for nonlinear forced vibrations of circular plates

Geometric nonlinearities for large amplitude free and forced vibrations of circular plates are investigated. Inplane displacement and inertia are included in the formulation. Finite element method is used. Harmonic force matrix for nonlinear forced vibration analysis is introduced and derived. Various out-of-plane and inplane boundary conditions are considered. The relations of amplitude - frequency ratio for different boundary conditions and various loads conditions are presented.

Decha-Umphai, K.↗

Non-linear analysis of vibrations of irregular plates

A numerical perturbation method is used to investigate the forced vibrations of irregular plates. Nonlinear terms associated with the midplane stretching are retained in the analysis. The numerical part of the method involves the use of linear, finite element techniques to determine the free oscillation mode shapes and frequencies and to obtain the linear midplane stress resultants caused by the midplane stretching. Representing the solution as an expansion in terms of these linear mode shapes, these modes and the resultants are used to determine the equations governing the time-dependent coefficients of this expansion. These equations are solved by using the method of multiple scales. Specific solutions are given for the main-resonant vibrations of an elliptical plate in the presence of internal resonances. The results indicate that modes other than the driven mode can be drawn into the steady state response. Though the excitation is composed of a single harmonic, the response may not be periodic. Moreover, the particular types of responses that can occur are highly dependent on the mode being excited and are sensitive to small geometrical changes.

Lobitz, D. W.↗