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At least 1,081 records · Page 60

Generalized approach for rapid entropy calculation of liquids and solids

We build a comprehensive methodology for the fast computation of entropy across both solid and liquid phases. The proposed method utilizes a single trajectory of molecular dynamics (MD) to facilitate the calculation of entropy, which is composed of three components. The electronic entropy is determined through the temporal average acquired from density functional theory MD simulations. The vibrational entropy, typically the predominant contributor to the total entropy, even within the liquid state, is evaluated by computing the phonon density of states via the velocity autocorrelation function. The most arduous component to quantify, the configurational entropy, is assessed by probability analysis of the local structural arrangement and atomic distribution. We illustrate, through a variety of examples, that this method is both a versatile and valid technique for characterizing the thermodynamic states of both solids and liquids. Furthermore, this method is employed to expedite the calculation of melting temperatures, demonstrating its practical utility in computational thermodynamics.

36 MATERIALS SCIENCE↗

Space shuttle RCS engine

The design of the space shuttle RCS engine has the primary objective of reusability with minimum servicing. Engine S/N FT-2A has successfully completed all ten environmental (salt water spray, sand and dust, vibration and humidity) and hot fire cycles with no change in engine performance (steady state or pulse mode).

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High resolution daytime photoelectron energy spectra from AE-E

The daytime photoelectron energy spectrum has been measured at altitudes above 154 km by the photoelectron-spectrometer experiment on the Atmosphere Explorer-E satellite. Below 200 km, well-resolved peaks are observed in the spectrum corresponding to production of O(+) and N2(+) in various electronic states from photoionization of N2 and O by solar He II (304A) radiation. Vibration-rotation excitation of N2 by inelastic electron scattering is observed at 2.5 eV. The features due to nitrogen disappear from the spectrum at altitudes above 200 km.

Doering, J. P.↗

Quantitative absorption and fluorescence studies of NO between 1060 and 2000 A

Synchrotron radiation in the 1060 to 2000 A region was used to measure the average absorption and fluorescence cross sections of NO and to determine approximate photodissociation quantum yields. Several vibrational levels of the D(2) sigma(+), E(2) sigma(+), and B(2) delta states have high fluorescence quantum yields. The C(2) and B(2) states do not fluoresce when the excitation energies are above the first dissociation limit, in accord with previous experiments. In general, the fluorescence yields decrease with increasing photon energy. The quantitative measurements are compared with spectroscopic observations and are found to be reasonably consistent.

Guest, J. A.↗

Reanalysis and design in structural dynamics

A unified efficient formulation for the static and dynamic reanalysis of locally modified structures is presented. The reanalysis problem is to find the structural responses when some of the element properties are adjusted as a result of design modifications or when additional structures are appended to the original system. The reanalysis problem is formulated as a problem of much lower order than the original system. This is achieved by utilizing the linearity property of the structure using the pseudoload concept together with the solution of the original system. The modifications to the structure are treated as displacement-dependent pseudoloads of the system. By expressing the modified system response as linear combinations of the response of the original system and a term depending on the pseudoload, a reduced set of response equations can be obtained. In the static and sinusoidal steady state analysis, this leads to a set of linear algebraic equations. For a free vibration analysis, this results in a reduced eigenvalue problem. Using these reduced equations, a design problem can be solved; that is, the magnitude of a specified local modification for given dynamic response characteristics can be calculated. Several examples are presented to illustrate the general formulations.

Wang, B. P.↗

Heating efficiencies in the thermosphere of Venus reconsidered

Heating efficiencies less than 10 percent are required by recent models of the low neutral temperatures in the daytime thermosphere of Venus. It is considered here whether such values are justifiable from a molecular point of view. The primary uncertainty in a calculation of the heating efficiency is the fraction of energy, f sub v, that appears as vibrational excitation of product molecules in quenching, photodissociation, and exothermic chemical reactions. The current state of knowledge of energy partitioning in chemical reactions is discussed and a range of likely values for f sub v is deduced. The calculated heating efficiencies fall in the range 16-25 percent over the altitude range from 115 to 200 km. It is suggested that the heating efficiency should not be taken as a free parameter and that the cold Venus thermosphere has not yet been satisfactorily explained.

Fox, J. L.↗

Introduction to dissociative recombination

Dissociative recombination (DR) of molecular ions with electrons has important consequences in many areas of physical science. Ab-initio calculations coupled with resonant scattering theory and multichannel quantum defect studies have produced detailed results illuminating the role of ion vibrational excitation, the quantum yields of the DR products, and the role of Rydberg states. The theoretical and experimental results are discussed.

Guberman, Steven L.↗

Vibrational relaxation of OH (X 2Pi sub i, v = 2)

A two-laser pump-and-probe technique is used to determine vibrational relaxation rates for the v = 2 level of the X 2Pi sub i state of the OH radical. In the present method, the time delay between the lasers is scanned at a given collider pressure, producing exponential decay whose rate as a function of collider pressure yields the rate constant. With the exception of ammonia, the values obtained are two to three orders of magnitude smaller than those found for relaxation of v = 1 in the A 2Sigma(+) excited state of OH.

Rensberger, Karen J.↗

A preliminary investigation of inlet unstart effects on a high-speed civil transport concept

Vehicle motions resulting from a supersonic mixed-compression inlet unstart were examined to determine if the unstart constituted a hazard severe enough to warrant rejection of mixed-compression inlets on high-speed civil transport (HSCT) concepts. A simple kinematic analysis of an inlet unstart during cruise was performed for a Mach 2, 4, 250-passenger HSCT concept using data from a wind-tunnel test of a representative configuration with unstarted inlets simulated. A survey of previously published research on inlet unstart effects, including simulation and flight test data for the YF-12, XB-70, and Concorde aircraft, was conducted to validate the calculated results. It was concluded that, when countered by suitable automatic propulsion and flight control systems, the vehicle dynamics induced by an inlet unstart are not severe enough to preclude the use of mixed-compression inlets on an HSCT from a passenger safety standpoint. The ability to provide suitable automatic controls appears to be within the current state of the art. However, the passenger startle and discomfort caused by the noise, vibration, and cabin motions associated with an inlet unstart remain a concern.

Domack, Christopher S.↗

Thermochemical nonequilibrium and radiative interactions in supersonic hydrogen-air combustion

The two-dimensional, elliptic Navier-Stokes equations are used to investigate supersonic flows with nonequilibrium chemistry and thermodynamics, coupled with radiation, for hydrogen-air systems. The chemistry source term in the species equation is treated implicitly to alleviate the stiffness associated with fast reactions. The explicit, unsplit MacCormack finite-difference scheme is used to advance the governing equations in time, until convergence is achieved. The specific problem considered is the premixed, expanding flow in a supersonic nozzle. The reacting flow consists of seven species, one of which is the inert N2 molecule. The thermal state of the gas is modeled with one translational-rotational temperature and five vibrational temperatures. The harmonic oscillator model is used in the formulation for vibrational relaxation. The tangent slab approximation is used in the radiative flux formulation. A pseudo-gray model is used to represent the absorption-emission characteristics of the participating species. Results obtained for specific conditions indicate the presence of nonequilibrium in the expansion region. This reduces the radiative interactions and can have a significant influence on the flowfield.

Chandrasekhar, R.↗

Design definition of the Laser Atmospheric Wind Sounder (LAWS), phase 2. Volume 1: Executive summary

The LAWS phase 1 and phase 2 studies have been completed on schedule and have led to significant advances in CO2 laser development. The Phase 2 Design Definition Study has shown that a large scanning mirror/high pulse energy laser LAWS Instrument is feasible and within the existing technology. The capability to monitor wind velocities with backscatter ratios of 10(exp 11) m(exp -1) SR(exp -1) is feasible. The weight budget allocated for the baseline LAWS is adequate, and sufficient reserves exist with the potential downsized configuration. With the possible decrease in available power from the baseline of 2.2 kW guideline, power and shot management is critical for the baseline configuration (15 to 20 J). This is particularly true during the 100 day occultation period each year. With the downsized configurations (5 to 7 J), power management is still necessary during the occultation but is primarily limited to shot management over the polar regions. The breadboard effort has produced significant laser advances for a tight 18 month schedule and the minimum budgets available from NASA, Lockheed, and TDS. Using the NASA funds and Lockheed and TDS fixed assets budgets, the breadboard was designed, fabricated, and brought on-line with first laser light within 16 months after ATP. First laser beam was obtained on 21 April 1992 at a 5 J power level. Tests since then have been conducted at sustained, repetitive pulse levels of over 7 J and 20 Hz. This is an increase of over two or three times greater than any system previously developed from this type laser. Increased power levels and additional life tests will be accomplished in the next LAWS phase. The Lockheed LAWS design will operate in the gravity gradient mode on-orbit, and all possible instrument vibration and jitter modes have been considered. Adequate pointing stability and control is state-of-the-art technology for the critical time periods, frequency rates, and control responses required by LAWS. Lockheed recommends a 6-1/2 year phase C/D program for LAWS to provide adequate feedback from the engineering unit and the qualification unit to the final flight unit. Assuming a one year period for LAWS integration to the spacecraft, followed by a six-month period for launch vehicle integration, LAWS could be successfully developed and launched in eight years. Our baseline design or downsized design can be accommodated by either the Atlas 2AS or the Delta launch vehicles. Lockheed's recommendation is that, based on the successful phase 2 design study and breadboard program, a follow-on 18 month extended breadboard testing program and additional system engineering studies, primarily in interfacing with a to be defined platform, be initiated. This should be immediately followed by the phase C/D program, leading to a LAWS launch in late 2001 or early 2002.

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One-dimensional flows of an imperfect diatomic gas

With the assumptions that Berthelot's equation of state accounts for molecular size and intermolecular force effects, and that changes in the vibrational heat capacities are given by a Planck term, expressions are developed for analyzing one-dimensional flows of a diatomic gas. The special cases of flow through normal and oblique shocks in free air at sea level are investigated. It is found that up to a Mach number 10 pressure ratio across a normal shock differs by less than 6 percent from its ideal gas value; whereas at Mach numbers above 4 the temperature rise is considerable below and hence the density rise is well above that predicted assuming ideal gas behavior. It is further shown that only the caloric imperfection in air has an appreciable effect on the pressures developed in the shock process considered. The effects of gaseous imperfections on oblique shock-flows are studied from the standpoint of their influence on the life and pressure drag of a flat plate operating at Mach numbers of 10 and 20. The influence is found to be small. (author)

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Passive damping augmentation of flexible beam-like lattice trusses for large space structures

A Timoshenko beam continuum model is developed to determine the transient response of a beam-like latticed large space structure, subjected to a unit impulse. It is demonstrated that an increase in diagonal stiffness, on account of the stiffness of the vertical girder, leads to a rise in the transverse shear rigidity. This results in higher natural frequencies and reduction in peak displacement. In addition, in an asymmetrical truss configuration, coupling between the extensional and shear modes raises the maximum peak displacement compared with that obtained for a symmetrical truss. The model is modified to investigate the introduction of passive damping in the form of several dynamic vibration absorbers. A unique absorber parameter optimization procedure, based on the classical steady-state criteria, is used to tune the absorbers, having a total allocated mass budget of 10%, to the first two frequencies of the latticed structure. It is found that inclusion of transverse shear rigidity as a design parameter in damping augmentation studies reduces settling time for predetermined maximum peak displacements.

Cohen, K.↗

High-Resolution Electron-Impact Study of the Far-Ultraviolet Emission Spectrum of Molecular Hydrogen

The emission spectrum of molecular hydrogen produced by electron-impact excitation at 100 eV has been measured in the wavelength range 1140-1690 A. High-resolution, optically thin spectra (delta(lambda) = 0.136 A) of the far-ultraviolet (FUV) Lyman and Werner band systems have been obtained with a newly constructed 3 m spectrometer. Synthetic spectral intensities based on the transition probabilities calculated by Abgrall et al. are in very good agreement with experimentally observed intensities. Previous modeling that utilized Allison & Daigarno band transition probabilities with Hoenl-London factors breaks down when the transition moment has significant J dependence or when ro-vibrational coupling is significant. Ro-vibrational perturbation between upsilon = 14 of the B(sup 1)Sigma(sup +, sub u) state and upsilon = 3 of the C(sup 1)Pi(sub u) state and the rotational dependence of the transition moment in the bands of the Lyman system are examined. Complete high-resolution experimental reference FUV spectra, together with the model synthetic spectra based on the Abgrall transition probabilities, are presented. An improved calibration standard is obtained, and an accurate calibration of the 3 m spectrometer has been achieved.

Liu, Xian-Ming↗

Vibration Performance Comparison Study on Current Fiber Optic Connector Technologies

Fiber optic cables are increasingly being used in harsh environments where they are subjected to vibration. Understanding the degradation in performance under these conditions is essential for integration of the fibers into the given application. System constraints oftentimes require fiber optic connectors so subsystems can be removed or assembled as needed. In the present work, various types of fiber optic connectors were monitored in-situ during vibration testing to examine the transient change in optical transmission and the steady-state variation following the event. Inspection of the fiber endfaces and connectors was performed at chosen intervals throughout the testing.

Ott, Melanie N.↗

Thermodynamic Analysis of Boundary Layer Species During Ablation

The focus of this work is on carbon clusters, hydrocarbons and other carbonaceous species which are constituents of pyrolysis gases injected into the boundary layer. Some of these molecules are observed to have absorption spectra in the VUV and UV region that match the emission spectra of atomic nitrogen and oxygen. Hence, they can potentially absorb the radiation impinging on the heat shield. Accurate thermodynamic data is not available for many of these species over the relevant temperature range for reentry. The objective of this work is to determine the thermochemical properties of potential radiation absorbing molecules using accurate ab initio quantum chemistry calculations. We have compiled a database of formation enthalpies, anharmonic vibrational frequencies and rotational constants for the ground and low-lying excited electronic states of these carbonaceous species. Using these thermochemical properties, we compute equilibrium mole fractions and observe that the mole fractions of some species of interest are significant, thus they could affect the radiative heat flux. Furthermore, comparisons of the formation enthalpies and mole fractions are made with data from literature.

heatshields↗

Flow Testing of Corrugated Metal Flexhoses to Evaluate Flow-Induced Vibration and Stiffness

Corrugated metal flexhoses are used to supply fluid routing where straight rigid pipes cannot meet the design requirements due to vibrations, thermal expansion, or motion. These types of hoses are found in a wide range of applications at KSC (Exploration Ground Systems Program in particular) with various fluid commodities such as fuel, oxidizers, coolant, and cryogenics. However, flexibility of design comes at a price: due to increased levels of turbulence generated by the hose geometry, the necessary supply pressure must increase to achieve the same flow rate. Furthermore, the convolutes of the flexhoses interact with the flow field to generate areas of flow separation which leads to a phenomenon known as vortex shedding. When the frequency of vortex shedding couples with the natural frequency of the hose, this can be detrimental and cause premature failure. There are a limited amount of software that can correctly model the coupled fluid structure interactions(FSI) between the solid and fluid physics. This project aims to develop a computer model that can predict Flow-Induced Vibration (FIV) on flexhoses in one of the atypical configurations found in the State-of-the-Art (SOTA) standard for hoses in an angulated state. Our research seeks to extend the literature and expand NASA’s FIV standard. The computational rigor and resources available in the Apollo Era did not allow for flow coupling between fluids and structure interfaces to evaluate FIV of the flexhose. Our team believes that modern techniques and methods of evaluation should be used to reevaluate and extend the database of FIV and stiffness properties of flexhoses to assess the risk of failure. The core performance criteria is a computer model that is able to predict the FIV frequency within 10%.

Jared F. Congiardo↗

Non-linear dynamic analysis of geared systems

Under driving conditions, a typical geared system may be subjected to large dynamic loads. Also, the vibration level of the geared system is directly related to the noise radiated from the gear box. The steady state dynamic behavior of the system is examined in order to design reliable and quiet transmissions. The scope is limited to a system containing a spur gear pair with backlash and periodically time varying mesh stiffness, and rolling element bearings with clearance type nonlinearities. The internal static transmission error at the gear mesh, which is of importance from high frequency noise and vibration control view point, is considered in the formulation in sinusoidal or periodic form. A dynamic finite element model of the linear time invariant (LTI) system is developed. Effects of several system parameters, such as torsional and transverse flexibilities of the shafts and prime mover/load inertias, on free and forced vibration characteristics are investigated. Several reduced order LTI models are developed and validated by comparing their eigen solutions with the finite element model results. Using the reduced order formulations, a three degree of freedom dynamic model is developed which includes nonlinearities associated with radical clearances in the radial rolling element bearings, backlash between a spur gear pair and periodically varying gear mesh stiffness. As a limiting case, a single degree of freedom model of the spur gear pair with backlash is considered and mathematical conditions for tooth separation and back collision are defined. Both digital simulation technique and analytical models such as method of harmonic balance and the method of multiple scales were used to develop the steady state frequency response characteristics for various nonlinear and/or time varying cases.

Singh, Rajendra↗