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At least 379 records · Page 21

Modeling, Modal Properties, and Mesh Stiffness Variation Instabilities of Planetary Gears

Planetary gear noise and vibration are primary concerns in their applications in helicopters, automobiles, aircraft engines, heavy machinery and marine vehicles. Dynamic analysis is essential to the noise and vibration reduction. This work analytically investigates some critical issues and advances the understanding of planetary gear dynamics. A lumped-parameter model is built for the dynamic analysis of general planetary gears. The unique properties of the natural frequency spectra and vibration modes are rigorously characterized. These special structures apply for general planetary gears with cyclic symmetry and, in practically important case, systems with diametrically opposed planets. The special vibration properties are useful for subsequent research. Taking advantage of the derived modal properties, the natural frequency and vibration mode sensitivities to design parameters are investigated. The key parameters include mesh stiffnesses, support/bearing stiffnesses, component masses, moments of inertia, and operating speed. The eigen-sensitivities are expressed in simple, closed-form formulae associated with modal strain and kinetic energies. As disorders (e.g., mesh stiffness variation. manufacturing and assembling errors) disturb the cyclic symmetry of planetary gears, their effects on the free vibration properties are quantitatively examined. Well-defined veering rules are derived to identify dramatic changes of natural frequencies and vibration modes under parameter variations. The knowledge of free vibration properties, eigen-sensitivities, and veering rules provide important information to effectively tune the natural frequencies and optimize structural design to minimize noise and vibration. Parametric instabilities excited by mesh stiffness variations are analytically studied for multi-mesh gear systems. The discrepancies of previous studies on parametric instability of two-stage gear chains are clarified using perturbation and numerical methods. The operating conditions causing parametric instabilities are expressed in closed-form suitable for design guidance. Using the well-defined modal properties of planetary gears, the effects of mesh parameters on parametric instability are analytically identified. Simple formulae are obtained to suppress particular instabilities by adjusting contact ratios and mesh phasing.

Parker, Robert G.↗

The Ozonide Anion: A Theoretical Study

Complete active space self-consistent field (CASSCF) and CASSCF second order perturbation theory (CASPT2) methods have been used for the geometry optimization and calculation of harmonic and fundamental frequencies of the ozonide ion O3(-) and the ozonide lithium complex Li(+)O3(-). For O3(-) harmonic frequencies have also been obtained using the coupled-cluster method, CCSD(T). Infrared intensities are computed from dipole moment derivatives at the CASSCF level. The predicted equilibrium geometry for O3(-) is: Roo = 1.361 Angstroms and angle ooo = 115.4 degrees, and the fundamental frequencies are: nu(sub 1) = 989 per centimeter, nu(sub 2) 556 per centimeter, nu(sub 3) = 870 per centimeter (experimental values are: Roo =1.36 plus or minus 0.02 Angstroms, angle (ooo) = 111.8 plus or minus 2.0 degrees, nu(sub 1) = 975(50) per centimeter, nu(sub 2) = 550(50) per centimeter, nu(sub 3) = 880(50) per centimeter). Corresponding data for the lithium ozonide complex have also been obtained. The presented data contradict the previous interpretation of the IR and Raman spectrum obtained after deposition of ozone in N2, argon, or neon matrices with atomic beams of alkali metals. The presence of the lithium cation raises the asymmetric stretch frequency to about 940 per centimeter, which is contradictory to assumptions made in the assignments of the matrix spectra. Calculations made in a dielectric medium strongly suggest that the effect of the matrix on the IR spectrum is small for O3(-) itself. The dissociation and atomization energies of O3(-) are found to be in agreement with experiment.

Borowski, Poitr↗

Experimental and Theoretical Study of Thermodynamics of the Reaction of Titania and Water at High Temperatures

The transpiration method was used to determine the volatility of titanium dioxide (TiO2) in water vapor-containing environments at temperatures between 1473 and 1673 K. Water contents ranged from 0 to 76 mole % in oxygen or argon carrier gases for 20 to 250 hr exposure times. Results indicate that oxygen is not a key contributor to volatilization and the primary reaction for volatilization in this temperature range is: TiO2(s) + H2O(g) = TiO(OH)2(g). Data were analyzed with both the second and third law methods to extract an enthalpy and entropy of formation. The geometry and vibrational frequencies of TiO(OH)2(g) were computed using B3LYP density functional theory, and the enthalpy of formation was computed using the coupled-cluster singles and doubles method with a perturbative correction for connected triple substitutions [CCSD(T)]. Thermal functions are calculated using both a structure with bent and linear hydroxyl groups. Calculated second and third heats show closer agreement with the linear hydroxyl group, suggesting more experimental and computational spectroscopic and structural work is needed on this system.

equilibrium↗

Climate Change and Sounder Radiometric Stability

Satellite instrument radiometric stability is critical for climate studies. The Atmospheric Infrared Sounder (AIRS) radiances are of sufficient stability and accuracy to serve as a climate data record as evidenced by comparisons with the global network of buoys. In this paper we examine the sensitivity of derived geophysical products to potential instrument radiometric stability issues due to diurnal, orbital and seasonal variations. Our method is to perturb the AIRS radiances and examine the impact to retrieved parameters. Results show that instability in retrieved temperature products will be on the same order of the brightness temperature error in the radiances and follow the same time dependences. AIRS excellent stability makes it ideal for examining impacts of instabilities of future systems on geophysical parameter performance.

Sounding↗

Reducing the Noise Impact of Small Aircraft through Indirect Trajectory Optimization

This research examined the feasibility of incorporating an acoustic metric into the optimization of an aircraft trajectory to reduce the noise experienced by an observer. The method investigated a perturbed path of an unmanned aerial system with specified boundary conditions on position and velocity while maintaining a nominal flight speed. An acoustic model based on Gutin’s work was developed to estimate propeller noise as a function of flight parameters, propulsion characteristics, and spatial location. A trajectory was then optimized a priori to reduce the noise experienced by an observer. Multiple simulations were performed and results showed that integrating an acoustic metric into the path planning process could be used to reduce the noise impact on an observer with no perturbation to the nominal flight speed.

Matthew B Galles↗

Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms

The equilibrium structures, harmonic vibrational frequencies, IR intensities, and relative energetics of HNO3 and its protonated form H2NO3+ were investigated using double-zeta plus polarization and triple-zeta plus polarization basis sets in conjunction with high-level ab initio methods. The latter include second-order Moller-Plesset perturbation theory, the single and double excitation coupled cluster (CCSD) methods, a perturbational estimate of the effects of connected triple excitations (CCSD(T)), and the self-consistent field. To determine accurate energy differences CCSD(T) energies were computed using large atomic natural orbital basis sets. Four different isomers of H2NO3+ were considered. The lowest energy form of protonated nitric acid was found to correspond to a complex between H2O and NO2+, which is consistent with earlier theoretical and experimental studies.

Lee, Timothy J.↗

Development of a multiple-parameter nonlinear perturbation procedure for transonic turbomachinery flows: Preliminary application to design/optimization problems

An investigation was conducted to continue the development of perturbation procedures and associated computational codes for rapidly determining approximations to nonlinear flow solutions, with the purpose of establishing a method for minimizing computational requirements associated with parametric design studies of transonic flows in turbomachines. The results reported here concern the extension of the previously developed successful method for single parameter perturbations to simultaneous multiple-parameter perturbations, and the preliminary application of the multiple-parameter procedure in combination with an optimization method to blade design/optimization problem. In order to provide as severe a test as possible of the method, attention is focused in particular on transonic flows which are highly supercritical. Flows past both isolated blades and compressor cascades, involving simultaneous changes in both flow and geometric parameters, are considered. Comparisons with the corresponding exact nonlinear solutions display remarkable accuracy and range of validity, in direct correspondence with previous results for single-parameter perturbations.

Stahara, S. S.↗

The Effect of Approximating Some Molecular Integrals in Coupled-Cluster Calculations: Fundamental Frequencies and Rovibrational Spectroscopic Constants of Cyclopropenylidene

The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), has been used, in conjunction with approximate integral techniques, to compute highly accurate rovibrational spectroscopic constants of cyclopropenylidene, C3H2. The approximate integral technique was proposed in 1994 by Rendell and Lee in order to avoid disk storage and input/output bottlenecks, and today it will also significantly aid in the development of algorithms for distributed memory, massively parallel computer architectures. It is shown in this study that use of approximate integrals does not impact the accuracy of CCSD(T) calculations. In addition, the most accurate spectroscopic data yet for C3H2 is presented based on a CCSD(T)/cc-pVQZ quartic force field that is modified to include the effects of core-valence electron correlation. Cyclopropenylidene is of great astronomical and astrobiological interest because it is the smallest aromatic ringed compound to be positively identified in the interstellar medium, and is thus involved in the prebiotic processing of carbon and hydrogen. The singles and doubles coupled-cluster method that includes a perturbational estimate of

Lee, Timothy J.↗

The structures, binding energies and vibrational frequencies of Ca3 and Ca4: An application of the CCSD(T) method

The Ca3 and Ca4 metallic clusters have been investigated using state-of-the-art ab initio quantum mechanical methods. Large atomic natural orbital basis sets have been used in conjunction with the singles and doubles coupled-cluster (CCSD) method, a coupled-cluster method that includes a perturbational estimate of connected triple excitations, denoted CCSD(T), and the multireference configuration interaction (MRCI) method. The equilibrium geometries, binding energies and harmonic vibrational frequencies have been determined with each of the methods so that the accuracy of the coupled-cluster methods may be assessed. Since the CCSD(T) method reproduces the MRCI results very well, cubic and quartic force fields of Ca3 and Ca4 have been determined using this approach and used to evaluate the fundamental vibrational frequencies. The infrared intensities of both the e' mode of Ca3 and the t2 mode of Ca4 are found to be small. The results obtained in this study are compared and contrasted with those from our earlier studies on small Be and Mg clusters.

Lee, Timothy J.↗

H-H, C-H, and C-C NMR spin-spin coupling constants calculated by the FP-INDO method for aromatic hydrocarbons

The FP-INDO (finite perturbation-intermediate neglect of differential overlap) method is used to calculate the H-H, C-H, and C-C coupling constants in hertz for molecules of six different benzenoid hydrocarbons: benzene, naphthalene, biphenyl, anthracene, phenanthrene, and pyrene. The calculations are based on both the actual and the average molecular geometries. It is found that only the actual molecular geometries can always yield the correct relative order of values for the H-H coupling constants. For the calculated C-C coupling constants, as for the calculated C-H coupling constants, the signs are positive (negative) for an odd (even) number of bonds connecting the two nuclei. Agreements between the calculated and experimental values of the coupling constants for all six molecules are comparable to those reported previously for other molecules.

Long, S. A. T.↗

Diagonally Implicit Runge-Kutta Methods for Ordinary Differential Equations. A Review

A review of diagonally implicit Runge-Kutta (DIRK) methods applied to rst-order ordinary di erential equations (ODEs) is undertaken. The goal of this review is to summarize the characteristics, assess the potential, and then design several nearly optimal, general purpose, DIRK-type methods. Over 20 important aspects of DIRKtype methods are reviewed. A design study is then conducted on DIRK-type methods having from two to seven implicit stages. From this, 15 schemes are selected for general purpose application. Testing of the 15 chosen methods is done on three singular perturbation problems. Based on the review of method characteristics, these methods focus on having a stage order of two, sti accuracy, L-stability, high quality embedded and dense-output methods, small magnitudes of the algebraic stability matrix eigenvalues, small values of aii, and small or vanishing values of the internal stability function for large eigenvalues of the Jacobian. Among the 15 new methods, ESDIRK4(3)6L[2]SA is recommended as a good default method for solving sti problems at moderate error tolerances.

Kennedy, Christopher A.↗

A Doubles Correction to Electronic Excited States from Configuration Interaction in the Space of Single Substitutions

A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS(D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS(D) is a second-order perturbation expansion of the coupled-cluster excited state method, restricted to single and double substitutions, in a series in which CIS is zeroth order, and the first-order correction vanishes. CIS (D) excitation energies are size consistent and the calculational complexity scales with the fifth power of molecular size, akin to second-order Moller-Plesset theory for the ground state. Calculations on singlet excited states of ethylene, formaldehyde, acetaldehyde, butadiene and benzene show that CIS (D) is a uniform improvement over CIS. CIS(D) appears to be a promising method for examining excited states of large molecules, where more accurate methods are not feasible.

Head-Gordon, Martin↗

Perturbation solution of the Navier-Stokes equations and its relation to the Lighthill-Curle solution of aerodynamic sound

The aerodynamic sound described by the Lighthill-Curle solution is reexamined using a method of matched asymptotic expansions. The governing Navier-Stokes equations written in nondimensional form are expanded for a small Mach number. First- and second-order solutions for the pressure field are obtained, and the singular nature of the expansion at large distances is indicated. The nearfield pressure is governed by the Poisson equation, whereas the farfield equations describe a linear wave system in a dissipative medium. The pseudosound is related to the incompressible Reynolds stresses associated with a solenoidal velocity field, the velocity, the pressure perturbation, and their derivatives on the boundaries. A uniformly valid first-order solution for the pressure is obtained. It is shown that viscosity, thermal conductivity, and entropy in the flow do not contribute to the first-order noise generation, while the viscous stress contributes to noise only from some boundaries. The application of the proposed perturbation method to a subsonically moving surface and a hot jet is discussed.

Pan, Y. S.↗

Recursive linearization of multibody dynamics equations of motion

The equations of motion of a multibody system are nonlinear in nature, and thus pose a difficult problem in linear control design. One approach is to have a first-order approximation through the numerical perturbations at a given configuration, and to design a control law based on the linearized model. Here, a linearized model is generated analytically by following the footsteps of the recursive derivation of the equations of motion. The equations of motion are first written in a Newton-Euler form, which is systematic and easy to construct; then, they are transformed into a relative coordinate representation, which is more efficient in computation. A new computational method for linearization is obtained by applying a series of first-order analytical approximations to the recursive kinematic relationships. The method has proved to be computationally more efficient because of its recursive nature. It has also turned out to be more accurate because of the fact that analytical perturbation circumvents numerical differentiation and other associated numerical operations that may accumulate computational error, thus requiring only analytical operations of matrices and vectors. The power of the proposed linearization algorithm is demonstrated, in comparison to a numerical perturbation method, with a two-link manipulator and a seven degrees of freedom robotic manipulator. Its application to control design is also demonstrated.

Lin, Tsung-Chieh↗

Single and Multiple Scattering Components of the Surface Current for Rough Surface Scattering

A method is presented for separating the single and multiple scattering contributions to the surface current which is valid up to the second order in perturbation theory. Using this method, numerical experiments are performed to determine the spectral characteristics of the surface current as a function of incidence angle and surface roughness for long random periodic gratings. It is shown that, as theincidence angle increases, the single scattering contribution shows a dependence on surface slope which is hot present in current perturbation theories.

perturbation theory Single Scattering Components M↗

Transforming Mean and Osculating Elements Using Numerical Methods

Mean element propagation of perturbed two body orbits has as its mathematical basis averaging theory of nonlinear dynamical systems. Averaged mean elements define the long-term evolution characteristics of an orbit. Using averaging theory, a near identity transformation can be found that transforms the mean elements back to the osculating elements that contain short period terms in addition to the secular and long period mean elements. The ability to perform the conversion is necessary so that orbit design conducted in mean elements can be converted back into osculating results. In the present work, this near identity transformation is found using the Fast Fourier Transform. An efficient method is found that is capable of recovering the osculating elements to first order

averaging↗

Stability and bifurcation analysis of oscillators with piecewise-linear characteristics - A general approach

A general approach is developed for determining the periodic solutions and their stability of nonlinear oscillators with piecewise-smooth characteristics. A modified harmonic balance/Fourier transform procedure is devised for the analysis. The procedure avoids certain numerical differentiation employed previously in determining the periodic solutions, therefore enhancing the reliability and efficiency of the method. Stability of the solutions is determined via perturbations of their state variables. The method is applied to a forced oscillator interacting with a stop of finite stiffness. Flip and fold bifurcations are found to occur. This led to the identification of parameter ranges in which chaotic response occurred.

Noah, S. T.↗