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At least 1,297 records · Page 72

Molecular processes in a high temperature shock layer

Research was completed on several aspects of dissociative recombination (DR) for the molecules NO(+), N2(+), and O2(+). For O2(+), DR with an electron is described by, O2(+) + e(-) yields O + O. Model studies were completed of the windows arising in DR cross section from excited ion vibrational levels and of the variation of the DR cross section with the intersection point of the ion and neutral dissociative state potential curves.

Guberman, Steven L.↗

Numerical approximation for the infinite-dimensional discrete-time optimal linear-quadratic regulator problem

An abstract approximation framework is developed for the finite and infinite time horizon discrete-time linear-quadratic regulator problem for systems whose state dynamics are described by a linear semigroup of operators on an infinite dimensional Hilbert space. The schemes included the framework yield finite dimensional approximations to the linear state feedback gains which determine the optimal control law. Convergence arguments are given. Examples involving hereditary and parabolic systems and the vibration of a flexible beam are considered. Spline-based finite element schemes for these classes of problems, together with numerical results, are presented and discussed.

Gibson, J. S.↗

Space Shuttle Main Engine structural analysis and data reduction/evaluation. Volume 7: High pressure fuel turbo-pump third stage impeller analysis

This volume summarizes the analysis used to assess the structural life of the Space Shuttle Main Engine (SSME) High Pressure Fuel Turbo-Pump (HPFTP) Third Stage Impeller. This analysis was performed in three phases, all using the DIAL finite element code. The first phase was a static stress analysis to determine the mean (non-varying) stress and static margin of safety for the part. The loads involved were steady state pressure and centrifugal force due to spinning. The second phase of the analysis was a modal survey to determine the vibrational modes and natural frequencies of the impeller. The third phase was a dynamic response analysis to determine the alternating component of the stress due to time varying pressure impulses at the outlet (diffuser) side of the impeller. The results of the three phases of the analysis show that the Third Stage Impeller operates very near the upper limits of its capability at full power level (FPL) loading. The static loading alone creates stresses in some areas of the shroud which exceed the yield point of the material. Additional cyclic loading due to the dynamic force could lead to a significant reduction in the life of this part. The cyclic stresses determined in the dynamic response phase of this study are based on an assumption regarding the magnitude of the forcing function.

Pool, Kirby V.↗

Vibrational energy transfer in OH X 2Pi(i), v = 2 and 1

Using an IR-pump/UV-probe method in a flow discharge cell, vibrational energy transfer in OH X 2Pi(i) has been studied. OH is prepared in v = 2 by overtone excitation, and the time evolution of population in v = 2 and 1 monitored by laser-induced fluorescence. Rate constants for vibrational relaxation by the colliders H2O, NH3, CO2, and CH4 were measured. Ratios of rate constants for removal from the two states, k2/k1, range from two to five.

Raiche, George A.↗

Finite element analysis of thermal post-buckling and vibrations of thermally buckled composite plates

A finite-element formulation is presented for the analysis of thermal postbuckling and free vibrations of thermally buckled, thin, rectangular, arbitrarily laminated, composite plates. The thermal load is considered to be a large steady-state temperature change over the plate. The equations of motion are derived from the principle of virtual work. The solution procedures are briefly discussed. Finite-element results are compared with existing isotropic and composite solutions. Examples studied include symmetric and antisymmetric angle-ply laminates and certain symmetric laminates.

Mei, Chuh↗

Miniaturized Airborne Imaging Central Server System

In recent years, some remote-sensing applications require advanced airborne multi-sensor systems to provide high performance reflective and emissive spectral imaging measurement rapidly over large areas. The key or unique problem of characteristics is associated with a black box back-end system that operates a suite of cutting-edge imaging sensors to collect simultaneously the high throughput reflective and emissive spectral imaging data with precision georeference. This back-end system needs to be portable, easy-to-use, and reliable with advanced onboard processing. The innovation of the black box backend is a miniaturized airborne imaging central server system (MAICSS). MAICSS integrates a complex embedded system of systems with dedicated power and signal electronic circuits inside to serve a suite of configurable cutting-edge electro- optical (EO), long-wave infrared (LWIR), and medium-wave infrared (MWIR) cameras, a hyperspectral imaging scanner, and a GPS and inertial measurement unit (IMU) for atmospheric and surface remote sensing. Its compatible sensor packages include NASA s 1,024 1,024 pixel LWIR quantum well infrared photodetector (QWIP) imager; a 60.5 megapixel BuckEye EO camera; and a fast (e.g. 200+ scanlines/s) and wide swath-width (e.g., 1,920+ pixels) CCD/InGaAs imager-based visible/near infrared reflectance (VNIR) and shortwave infrared (SWIR) imaging spectrometer. MAICSS records continuous precision georeferenced and time-tagged multisensor throughputs to mass storage devices at a high aggregate rate, typically 60 MB/s for its LWIR/EO payload. MAICSS is a complete stand-alone imaging server instrument with an easy-to-use software package for either autonomous data collection or interactive airborne operation. Advanced multisensor data acquisition and onboard processing software features have been implemented for MAICSS. With the onboard processing for real time image development, correction, histogram-equalization, compression, georeference, and data organization, fast aerial imaging applications, including the real time LWIR image mosaic for Google Earth, have been realized for NASA fs LWIR QWIP instrument. MAICSS is a significant improvement and miniaturization of current multisensor technologies. Structurally, it has a complete modular and solid-state design. Without rotating hard drives and other moving parts, it is operational at high altitudes and survivable in high-vibration environments. It is assembled from a suite of miniaturized, precision-machined, standardized, and stackable interchangeable embedded instrument modules. These stackable modules can be bolted together with the interconnection wires inside for the maximal simplicity and portability. Multiple modules are electronically interconnected as stacked. Alternatively, these dedicated modules can be flexibly distributed to fit the space constraints of a flying vehicle. As a flexibly configurable system, MAICSS can be tailored to interface a variety of multisensor packages. For example, with a 1,024x1,024 pixel LWIR and a 8,984x6,732 pixel EO payload, the complete MAICSS volume is approximately 7x9x11 in. (=18x23x28 cm), with a weight of 25 lb (=11.4 kg).

Sun, Xiuhong↗

Structural Analysis of Pressurized Small Diameter Lines in a Random Vibration Environment

The pressurization and propellant feed lines for the Ares 1 Upper Stage Reaction and Roll Control Systems (ReCS and RoCS) were required to be in a high g-load random vibration flight environment. The lines connected the system components and were filled with both liquid hydrazine and gaseous helium. They are considered small and varied between one fourth to one inch in diameter. The random vibration of the lines was considered to be base excitation through the mating components and mounting hardware. It was found that reducing the amount of support structure for the lines added flexibility to the system and improved the line stresses from random vibration, but caused higher stresses from the static g-loads. The locations and number of brackets were optimized by analyzing the mode shapes of the lines causing high stresses. The use of brackets that only constrain motion in the direction of concern further reduced the stresses in the lines. Finite element analysis was used to perform the analysis. The lines were pre-stressed by temperature and internal pressure with fluid and insulation included as non-structural mass. Base excitation was added to the model using Power Spectral Density (PSD) data for the expected flight loads. The random vibration and static g-load cases were combined to obtain the total stress in the lines. This approach advances the state of the art in line analysis by using FEA to predict the stresses in the lines and to optimize the entire system based on the expected flight environment. Adding flexibility to lines has been used in piping system for temperature loads, but in flight environments flexibility has been limited for the static stresses. Adding flexibility to the system in a flight environment by reducing brackets has the benefit of reducing stresses and weight

Davis, Mark↗

Primary Volatile Abundances in Comets from Infrared Spectroscopy: Implications for Reactions on Grain Surfaces in the Interstellar/Nebular Environment

Comets retain relatively primitive icy material remaining from the epoch of Solar System formation, however the extent to which they are modified from their initial state remains a key question in cometary science. High-resolution lR spectroscopy has emerged as a powerful tool for measuring vibrational emissions from primary volatiles (i.e., those contained in the nuclei of comets). With modern instrumentation, most notably NIRSPEC at the Keck II 10-m telescope, we can quantify species of astrobiological importance (e.g., H20, C2H2, CH4, C2H6, CO, H2CO, CH30H, HCN, NH3). In space environments, compounds of keen interest to astrobiology could originate from HCN and NH3 (leading to amino acids), H2CO (leading to sugars), or C2H6 and CH4 (suggested precursors of ethyl- and methylamine). Measuring the abundances of these precursor molecules (and their variability among comets) is a feasible task that contributes to understanding their delivery to Earth's early biosphere and to the synthesis of more complex pre biotic compounds. Over 20 comets have now been measured with IR spectroscopy, and this sample reveals significant diversity in primary volatile compositions. From this, a taxonomic classification scheme is emerging, presumably reflecting the diverse conditions experienced by pre-cometary grains in interstellar and subsequent nebular environs. The importance of H-atom addition to C2H2 on the surfaces of interstellar grains to produce C2H6 was validated by the discovery of abundant ethane in comet C/1996 B2 (Hyakutake) with C2H6/CH4 well above that achievable by gas-phase chemistry , and then in irradiation experiments on laboratory ices at 10 - 50 K. The large abundance ratios C2H6/CH4 observed universally in comets establish H-atom addition as an important and likely ubiquitous process, and comparing C2H6/C2H2 among comets can provide information on its efficiency. The IR is uniquely capable since symmetric hydrocarbons (e.g., C2H2, CH4, C2H6) have no electric dipole moment and thus no allowed pure rotational transitions. CO should also be hydrogenated on grain surfaces. Irradiation experiments on interstellar ice analogs show this to require very low temperatures, the resulting yields of H2CO and CH30H being highly dependent on temperature in the range approx 10 - 25 K. The relative abundances of these chemically-related molecules in comets provide one measure of the efficiency of H-atom addition to CO Oxidation of CO is also important on grain mantles, as evidenced by the widespread presence of C02 ice towards interstellar sources observed with ISO and in a survey of 17 comets observed with AKARI. H-atom addition to C2H2 produces the vinyl radical, and through subsequent oxidation1reduction reactions can lead to vinyl alcohol, acetaldehyde, and ethanol This may have implications for interpreting observed abundance ratios CO/C2H2. We will discuss possible implications regarding formation conditions in the context of measured primary volatile compositions, emphasizing recently observed comets and published results. These are continually providing new insights regarding our taxonomic scheme and also delivery of pre-biological material to the young Earth.

DiSanti, M. A.↗

Correlated anharmonicity and dynamic disorder control carrier transport in halide perovskites

Halide pervoskites are an important class of semiconducting materials that hold great promise for optoelectronic applications. In this work we investigate the relationship between vibrational anharmonicity and dynamic disorder in this class of solids. Via a multiscale model parametrized from first-principles calculations, we demonstrate that the non-Gaussian lattice motion in halide perovskites is microscopically connected to the dynamic disorder of overlap fluctuations among electronic states. This connection allows us to rationalize the emergent differences in temperature-dependent mobilities of prototypical MAPbI 3 and MAPbBr 3 compounds across structural phase transitions, in agreement with experimental findings. In conclusion, our analysis suggests that the details of vibrational anharmonicity and dynamic disorder can complement known predictors of electronic conductivity and can provide structure-property guidelines for the tuning of carrier transport characteristics in anharmonic semiconductors.

36 MATERIALS SCIENCE↗

Design of an active helicopter control experiment at the Princeton Rotorcraft Dynamics Laboratory

In an effort to develop an active control technique for reducing helicopter vibrations stemming from the main rotor system, a helicopter model was designed and tested at the Princeton Rotorcraft Dynamics Laboratory (PRDL). A description of this facility, including its latest data acquisition upgrade, are given. The design procedures for the test model and its Froude scaled rotor system are also discussed. The approach for performing active control is based on the idea that rotor states can be identified by instrumenting the rotor blades. Using this knowledge, Individual Blade Control (IBC) or Higher Harmonic Control (HHC) pitch input commands may be used to impact on rotor dynamics in such a way as to reduce rotor vibrations. Discussed here is an instrumentation configuration utilizing miniature accelerometers to measure and estimate first and second out-of-plane bending mode positions and velocities. To verify this technique, the model was tested, and resulting data were used to estimate rotor states as well as flap and bending coefficients, procedures for which are discussed. Overall results show that a cost- and time-effective method for building a useful test model for future active control experiments was developed. With some fine-tuning or slight adjustments in sensor configuration, prospects for obtaining good state estimates look promising.

Marraffa, Andrew M.↗

A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions

New computational tools for solid-state synthesis recipe design are needed in order to accelerate the experimental realization of novel functional materials proposed by high-throughput materials discovery workflows. This work contributes a cellular automaton simulation framework for predicting the time-dependent evolution of intermediate and product phases during solid-state reactions as a function of precursor choice and amount, reaction atmosphere, and heating profile. The simulation captures the effects of reactant particle spatial distribution, particle melting, and reaction atmosphere. Reaction rates based on rudimentary kinetics are estimated using density functional theory data from the Materials Project and machine learning estimators for the melting point and the vibrational entropy component of the Gibbs free energy. The resulting simulation framework allows for the prediction of the likely outcome of a reaction recipe before any experiments are performed. We analyze five experimental solid-state recipes for BaTiO 3 , CaZrN 2 , and YMnO 3 found in the literature to illustrate the performance of the model in capturing reaction selectivity and reaction pathways as a function of temperature and precursor choice. This simulation framework offers an easier way to optimize existing recipes, aid in the identification of intermediates, and design effective recipes for yet unrealized inorganic solids in silico .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vibration testing and dynamic studies of relays

Study has been undertaken to determine the separation criteria for a preloaded, idealized set of contacts when they are subjected to a steady-state sinusoidal excitation and when the elasticity of one contact is nonlinear. The study consists of two phases, theoretical and experimental.

Source record↗

Influence of Ligand Structure on Excited State Surface Chemistry of Lead Sulfide Quantum Dots

The ligand-nanocrystal boundaries of colloidal quantum dots (QDs) mediate the primary energy and electron transfer processes that underpin photochemical and photocatalytic transformations at their surfaces. We use mid-infrared transient absorption spectroscopy to reveal the influence that ligand structure and bonding to nanocrystal surfaces have on the changes of the excited state surface chemistry of this boundary in PbS QDs and the corresponding impact on charge transfer processes between nanocrystals. We demonstrate that oleate ligands undergo marked changes in their bonding to surfaces in the excitonic excited states of the nanocrystals, indicating that oleate passivated PbS surfaces undergo significant structural changes following photoexcitation. These changes can impact the surface mobility of the ligands and the ability of redox shuttles to approach the nanocrystal surfaces to undergo charge transfer in photocatalytic reactions. In contrast, markedly different transient vibrational features are observed in iodide/mercaptoproprionic acid passivated PbS QD films that result from charge transfer between neighboring nanocrystals and localization of holes at the nanocrystal surfaces near MPA ligands. This ability to distinguish the influence that excitonic excited states vs charge transfer processes have on the surface chemistry of the ligand-nanocrystal boundary lays the groundwork for exploration of how this boundary can be understood and controlled for the design of nanocrystalline materials tailored for specific applications in solar energy harvesting and photocatalytic reactions.

36 MATERIALS SCIENCE↗

Scaling functions for eigenstate entanglement crossovers in harmonic lattices

For quantum matter, eigenstate entanglement entropies obey an area law or log-area law at low energies and small subsystem sizes and cross over to volume laws for high energies and large subsystems. This transition is captured by crossover functions, which assume a universal scaling form in quantum critical regimes. We demonstrate this for the harmonic lattice model, which describes quantized lattice vibrations and is a regularization for free scalar field theories, modeling, e.g., spin-0 bosonic particles. In one dimension, the ground-state entanglement obeys a log-area law. For dimensions d ≥ 2, it displays area laws, even at criticality. The distribution of excited-state entanglement entropies is found to be sharply peaked around subsystem entropies of corresponding thermodynamic ensembles in accordance with the eigenstate thermalization hypothesis. Numerically, we determine crossover scaling functions for the quantum critical regime of the model and do a large-deviation analysis. We show how infrared singularities of the system can be handled and how to access the thermodynamic limit using a perturbative trick for the covariance matrix. Eigenstates for quasi-free bosonic systems are not Gaussian. Here, we resolve this problem by considering appropriate squeezed states instead. For these, entanglement entropies can be evaluated efficiently.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Quasiparticle Couplings in Transport of Heat, Charge, and Spin for Novel Energy Materials. Final report

Understanding the microscopic processes involved in the transport and conversion of energy from the atomic-scale to the meso-scale is critical for the development of next-generation materials for energy conversion and information processing. The goal of this program was to elucidate the couplings between microscopic degrees-of-freedom of atomic vibrations, spins, and electrons, which underpin heat, charge, and spin transport. This project systematically investigated these quasi-particle interactions, using state-of-the-art neutron scattering techniques, combined with first-principles computer simulations. This research program uncovered new information and understanding, which helps to rationalize materials properties based on the interplay of their atomistic degrees of freedom.

36 MATERIALS SCIENCE↗

Energy curves of CO2/-/.

Ab initio energy curves of the A super 2 sub 1 and B super 2 sub 1 states of CO2(-) have been obtained as a function of the bending angle. An analysis shows that gaseous CO2(-) in its ground vibrational level can have a relatively long life since the ion energy in the neighborhood of the ion equilibrium geometry is about 1 eV below the neutral molecule energy for that geometry.

Krauss, M.↗

Space Shuttle - A new arena for the structural dynamicists.

The Space Shuttle represents the focus of NASA development endeavors for the next decade. The purpose of the shuttle is to provide a general launch capability for a variety of payloads ranging in weight to as high as 65,000 pounds. This paper concentrates on one aspect of the shuttle development, namely, dynamics and aeroelasticity. The objective of our research during the first year of activity has been directed at searching out problems peculiar to the Space Shuttle, reviewing the state of the art, and developing a program to satisfy the needs. Some of the specific items covered in this paper are vibration modes, thermal protection system dynamics, fluid dynamics, ground winds, flutter, buffet, and noise.

Runyan, H. L.↗

Review of recent research of interior noise of propeller aircraft

Publications on the topics of propeller source noise, airborne noise transmission, and passenger comfort response to noise and vibration are reviewed. Of the 187 publications referenced, 140 have appeared since 1978. Examples of research accomplishments are presented to illustrate the state of the art. Emphasis is on comparisons of theoretical and measured results, but the description of the theories is left to the references. This review shows that substantial progress has been made in understanding the characteristics of propeller noise, airborne noise, and passenger response, and in the development of prediction methods. Application of the technology to cabin noise control and possible future research directions are discussed.

Mixson, J. S.↗