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At least 613 records · Page 34

Validity of approximate methods in molecular scattering - Thermal HCl-He collisions

Accurate close coupling scattering calculations are presented for thermal energy HCl-He collisions. The interaction potential is obtained from the Gordon-Kim electron gas model, adjusted to have the correct long-range multipole form. A variety of phenomenological cross sections are computed from the close coupling S matrix, and these are compared with results from several commonly employed approximate methods. In particular, it is found that the total integral, total differential, and gas kinetic cross sections are accurately predicted by the central field approximation which retains just the spherical average of the interaction. Integral inelastic cross sections are represented quite accurately by the coupled states approximation of McGuire and Kouri, but only qualitatively by the effective potential method of Rabitz.

Green, S.↗

Effect of Under-Resolved Grids on High Order Methods

There has been much discussion on verification and validation processes for establishing the credibility of CFD simulations. Since the early 1990s, many of the aeronautical and mechanical engineering related reference journals mandated that any accepted articles in numerical simulations (without known solutions to compared with) need to perform a minimum of one level of grid refinement and time step reduction. Due to the difficulty in analysis, the effect of under-resolved grids and the nonlinear behavior of available spatial discretizations, are scarcely discussed in the literature. Here, an under-resolved numerical simulation is one where the grid spacing being used is too coarse to resolve the smallest physically relevant scales of the chosen continuum governing equations that are of interest to the numerical modeler. With the advent of new developments in fourth-order or higher spatial schemes, it has become common to regard high order schemes as more accurate, reliable and require less grid points. The danger comes when one tries to perform computations with the coarsest grid possible while still hoping to maintain numerical results sufficiently accurate for complex flows, and especially, data-limited problems. On one hand, high order methods when applies to highly coupled multidimensional complex nonlinear problems might have different stability, convergence and reliability behavior than their well studied low order counterparts, especially for nonlinear schemes such as TVD, MUSCL with limiters, ENO, WENO and discrete Galerkin. On the other hand, high order methods involve more operation counts and systematic grid convergence study can be time consuming and prohibitively expansive. At the same time it is difficult to fully understand or categorize the different nonlinear behavior of finite discretizations, especially at the limits of under-resolution when different types of bifurcation phenomena might occur, depending on the combination of grid spacings, time steps, initial conditions and numerical treatments of boundary conditions.

Yee, H. C.↗

Application of the Finite Element Method to Rotary Wing Aeroelasticity

A finite element method for the spatial discretization of the dynamic equations of equilibrium governing rotary-wing aeroelastic problems is presented. Formulation of the finite element equations is based on weighted Galerkin residuals. This Galerkin finite element method reduces algebraic manipulative labor significantly, when compared to the application of the global Galerkin method in similar problems. The coupled flap-lag aeroelastic stability boundaries of hingeless helicopter rotor blades in hover are calculated. The linearized dynamic equations are reduced to the standard eigenvalue problem from which the aeroelastic stability boundaries are obtained. The convergence properties of the Galerkin finite element method are studied numerically by refining the discretization process. Results indicate that four or five elements suffice to capture the dynamics of the blade with the same accuracy as the global Galerkin method.

Straub, F. K.↗

Aviary: An Open-Source Multidisciplinary Design, Analysis, and Optimization Tool for Modeling Aircraft with Analytic Gradients

In recent years demands on aircraft design methods have begun to require higher degrees of coupling between disciplines and optimization in order to satisfy competing objectives involving large numbers of design parameters that define unconventional configurations. These expanding requirements have amplified a need for new and improved aircraft design, analysis, and optimization codes that are capable of performing coupled design and exploiting analytic gradients to perform gradient-based optimization where possible. To address this need, a new multidisciplinary design optimization and analysis tool called Aviary is presented. This tool, built on OpenMDAO, allows for tightly coupled, simultaneous aircraft and subsystem design using analytic gradients. Aviary includes methods from two NASA developed legacy aircraft analysis tools and provides native analytically differentiated calculations for five different disciplines (weights and sizing, aerodynamics, geometry, propulsion, and mission analysis), while also allowing external discipline analysis tools to be coupled, regardless of whether those tools can provide analytic gradients. Verification and preliminary examples and modeling efforts show Aviary’s ability to effectively model novel concepts and explore large and non-intuitive design spaces. Additionally, a multi-level user interface in Aviary creates an easy entry point for users with any level of multidisciplinary design, analysis, and optimization experience.

optimization↗

On the representation matrices of the spin permutation group

A method is presented for the determination of the representation matrices of the spin permutation group (symmetric group), a detailed knowledge of these matrices being required in the study of the electronic structure of atoms and molecules. The method is characterized by the use of two different coupling schemes. Unlike the Yamanouchi spin algebraic scheme, the method is not recursive. The matrices for the fundamental transpositions can be written down directly in one of the two bases. The method results in a computationally significant reduction in the number of matrix elements that have to be stored when compared with, say, the standard Young tableaux group theoretical approach.

Wilson, S.↗

Application of viscous-inviscid interaction methods to transonic turbulent flows

Two different viscous-inviscid interaction schemes were developed for the analysis of steady, turbulent, transonic, separated flows over axisymmetric bodies. The viscous and inviscid solutions are coupled through the displacement concept using a transpiration velocity approach. In the semi-inverse interaction scheme, the viscous and inviscid equations are solved in an explicitly separate manner and the displacement thickness distribution is iteratively updated by a simple coupling algorithm. In the simultaneous interaction method, local solutions of viscous and inviscid equations are treated simultaneously, and the displacement thickness is treated as an unknown and is obtained as a part of the solution through a global iteration procedure. The inviscid flow region is described by a direct finite-difference solution of a velocity potential equation in conservative form. The potential equation is solved on a numerically generated mesh by an approximate factorization (AF2) scheme in the semi-inverse interaction method and by a successive line overrelaxation (SLOR) scheme in the simultaneous interaction method. The boundary-layer equations are used for the viscous flow region. The continuity and momentum equations are solved inversely in a coupled manner using a fully implicit finite-difference scheme.

Lee, D.↗

Comparison of the quadratic configuration interaction and coupled cluster approaches to electron correlation including the effect of triple excitations

The recently proposed quadratic configuration interaction (QCI) method is compared with the more rigorous coupled cluster (CC) approach for a variety of chemical systems. Some of these systems are well represented by a single-determinant reference function and others are not. The finite order singles and doubles correlation energy, the perturbational triples correlation energy, and a recently devised diagnostic for estimating the importance of multireference effects are considered. The spectroscopic constants of CuH, the equilibrium structure of cis-(NO)2 and the binding energies of Be3, Be4, Mg3, and Mg4 were calculated using both approaches. The diagnostic for estimating multireference character clearly demonstrates that the QCI method becomes less satisfactory than the CC approach as non-dynamical correlation becomes more important, in agreement with a perturbational analysis of the two methods and the numerical estimates of the triple excitation energies they yield. The results for CuH show that the differences between the two methods become more apparent as the chemical systems under investigation becomes more multireference in nature and the QCI results consequently become less reliable. Nonetheless, when the system of interest is dominated by a single reference determinant both QCI and CC give very similar results.

Taylor, Peter R.↗

Computer Program Predicts Turbine-Stage Performance

MTSBL updated version of flow-analysis programs MERIDL and TSONIC coupled to boundary-layer program BLAYER. Method uses quasi-three-dimensional, inviscid, stream-function flow analysis iteratively coupled to calculated losses so changes in losses result in changes in flow distribution. Manner effects both configuration on flow distribution and flow distribution on losses taken into account in prediction of performance of stage. Written in FORTRAN IV.

Boyle, Robert J.↗

Three-Dimensional Navier-Stokes Method with Two-Equation Turbulence Models for Efficient Numerical Simulation of Hypersonic Flows

A new computational efficient 3-D compressible Reynolds-averaged implicit Navier-Stokes method with advanced two equation turbulence models for high speed flows is presented. All convective terms are modeled using an entropy satisfying higher-order Total Variation Diminishing (TVD) scheme based on implicit upwind flux-difference split approximations and arithmetic averaging procedure of primitive variables. This method combines the best features of data management and computational efficiency of space marching procedures with the generality and stability of time dependent Navier-Stokes procedures to solve flows with mixed supersonic and subsonic zones, including streamwise separated flows. Its robust stability derives from a combination of conservative implicit upwind flux-difference splitting with Roe's property U to provide accurate shock capturing capability that non-conservative schemes do not guarantee, alternating symmetric Gauss-Seidel 'method of planes' relaxation procedure coupled with a three-dimensional two-factor diagonal-dominant approximate factorization scheme, TVD flux limiters of higher-order flux differences satisfying realizability, and well-posed characteristic-based implicit boundary-point a'pproximations consistent with the local characteristics domain of dependence. The efficiency of the method is highly increased with Newton Raphson acceleration which allows convergence in essentially one forward sweep for supersonic flows. The method is verified by comparing with experiment and other Navier-Stokes methods. Here, results of adiabatic and cooled flat plate flows, compression corner flow, and 3-D hypersonic shock-wave/turbulent boundary layer interaction flows are presented. The robust 3-D method achieves a better computational efficiency of at least one order of magnitude over the CNS Navier-Stokes code. It provides cost-effective aerodynamic predictions in agreement with experiment, and the capability of predicting complex flow structures in complex geometries with good accuracy.

Bardina, J. E.↗

Level Set Topology Optimization of Load Carrying Heat Dissipation Devices

In this paper, we introduce a level set method topology optimization method of structures subjected to coupled mechanical and thermal loads. Different examples considering compliance minimization and stress minimization under temperature and volume constraints, and mass minimization under stress and temperature constraints, are presented. The p-norm of the stress field and temperature field is used to approximate the maximum stress and temperature, respectively. The developed method is applied in the design of an L-bracket and a battery package. The results show that designs obtained by ignoring the thermal or structural constraints can result in high values of temperature or stress, respectively.

Kambampati, Sandilya↗

Radiation/convection coupling in rocket motors and plumes

The three commonly used propellant systems - H2/O2, RP-1/O2, and solid propellants - primarily radiate as molecular emitters, non-scattering small particles, and scattering larger particles, respectively. Present technology has accepted the uncoupling of the radiation analysis from that of the flowfield. This approximation becomes increasingly inaccurate as one considers plumes, interior rocket chambers, and nuclear rocket propulsion devices. This study will develop a hierarchy of methods which will address radiation/convection coupling in all of the aforementioned propulsion systems. The nature of the radiation/convection coupled problem is that the divergence of the radiative heat flux must be included in the energy equation and that the local, volume-averaged intensity of the radiation must be determined by a solution of the radiative transfer equation (RTE). The intensity is approximated by solving the RTE along several lines of sight (LOS) for each point in the flowfield. Such a procedure is extremely costly; therefore, further approximations are needed. Modified differential approximations are being developed for this purpose. It is not obvious which order of approximations are required for a given rocket motor analysis. Therefore, LOS calculations have been made for typical rocket motor operating conditions in order to select the type approximations required. The results of these radiation calculations, and the interpretation of these intensity predictions are presented herein.

Farmer, R. C.↗

Visible-Light-Responsive Catalysts Using Quantum Dot-Modified TiO2 for Air and Water Purification

Photocatalysis, the oxidation or reduction of contaminants by light-activated catalysts, utilizing titanium dioxide (TiO2) as the catalytic substrate has been widely studied for trace contaminant control in both air and water applications. The interest in this process is due primarily to its low energy consumption and capacity for catalyst regeneration. Titanium dioxide requires ultraviolet light for activation due to its relatively large band gap energy of 3.2 eV. Traditionally, Hg-vapor fluorescent light sources are used in PCO reactors; however, the use of mercury precludes the use of this PCO technology in a spaceflight environment due to concerns over crew Hg exposure. The development of a visible-light responsive (VLR) TiO2-based catalyst would eliminate the concerns over mercury contamination. Further, VLR development would allow for the use of ambient visible solar radiation or highly efficient LEDs, both of which would make PCO approaches more efficient, flexible, economical, and safe. Though VLR catalyst development has been an active area of research for the past two decades, there are few commercially available VLR catalysts. Those VLR catalysts that are commercially available do not have adequate catalytic activity, in the visible region, to make them competitive with those operating under UV irradiation. This study was initiated to develop more effective VLR catalysts through a novel method in which quantum dots (QD) consisting of narrow band gap semiconductors (e.g., CdS, CdSe, PbS, ZnSe, etc.) are coupled to TiO2 via two preparation methods: 1) photodeposition and 2) mechanical alloying using a high-speed ball mill. A library of catalysts was developed and screened for gas and aqueous phase applications using ethanol and 4-chlorophenol as the target contaminants, respectively. Both target compounds are well studied in photocatalytic systems and served as model contaminants for this research. Synthesized catalysts were compared in terms of preparation method, nature of the quantum dots, and dosage of quantum dots.

visible light↗

A vortex-lattice method for calculating lifting-surface interference

The interference effect of closely coupled lifting surfaces was investigated. A nonsteady vortex-lattice method was applied to calculate the steady-state and nonsteady lift characteristics of configurations having interference effects. The configurations consist of low-aspect-ratio delta wings, at low and high angles of attack. Leading-edge separation and wake roll-up are simulated by a time-dependent wake-shedding procedure. For steady-state flow conditions, this numerical procedure saves a considerable amount of computer time, compared with iterative methods, and yields the same results. A better understanding of the interference effect can be gained by using the method to study the transient behavior. The nonsteady approach also offers the capability of calculating various nonsteady motions, as is demonstrated in the calculation of the longitudinal damping.

Levin, D.↗

Direct simulation with vibration-dissociation coupling

The majority of implementations of the Direct Simulation Monte Carlo (DSMC) method of Bird do not account for vibration-dissociation coupling. Haas and Boyd have proposed the vibrationally-favored dissociation model to accomplish this task. This model requires measurements of induction distance to determine model constants. A more general expression has been derived that does not require any experimental input. The model is used to calculate one-dimensional shock waves in nitrogen and the flow past a lunar transfer vehicle (LTV). For the conditions considered in the simulation, the influence of vibration-dissociation coupling on heat transfer in the stagnation region of the LTV can be significant.

Hash, David B.↗

Detecting Conductive Liquid Leaking from Nonconductive Pipe

A method that can be implemented with relatively simple electronic circuitry provides a capability for detecting leakage of an electrically conductive liquid from an electrically nonconductive underground pipe. Alternatively or in addition, the method can be applied to locate the pipe, whether or not there is a leak. Although the method is subject to limitations (some of which are described below), it is still attractive as an additional option for detecting leaks and locating pipes without need for extensive digging. The method is based on capacitive coupling of an alternating electrical signal from the liquid to a portable electronic unit that resembles a metal detector. A signal voltage is applied to the liquid at some convenient point along the pipe: for example, the signal could be coupled into the liquid via an aboveground metal pipe fitting, the interior surface of which is in contact with the liquid. The signal is conducted through the liquid in the pipe; in the case of diffusive leak of liquid into the surrounding ground, the signal is conducted through the leak, into the portion of the adjacent ground that has become soaked with the liquid. (A drip leak cannot be detected by this method because there is no conductive path between the liquid inside and the liquid outside the pipe.) The portable unit includes an electrically conductive plate connected to the input terminal of an amplifier. When the plate is brought near the pipe or the leaked liquid, a small portion of the signal power is coupled capacitively from the liquid to the plate. The user scans the plate near the ground surface to find the locus of maximum signal strength. The leak can be identified as a relatively wide area, contiguous with the location of the pipe, over which the signal is detectable.

Youngquist, Robert C.↗

An Engineering Method for Interactive Inviscid-Boundary Layers in Three-Dimensional Hypersonic Flows

An engineering method has been developed that couples an approximate three dimensional inviscid technique with the axisymmetric analog and a set of approximate convective heating equations. The displacement effect on the boundary layer on the outer inviscid flow is calculated and included as a boundary condition in the inviscid technique. This accounts for the viscous interaction present at lower Reynolds numbers. The method is applied to blunted axisymmetric and three dimensional elliptic cones at angle of attack for the laminar hypersonic flow of a perfect gas. The method is applied to turbulent and equilibrium-air conditions. The present technique predicts surface heating rates, pressures, and shock shapes that compare favorably with experimental (ground-test and flight) data and numerical solutions of the Navier-Stokes and viscous shock-layer equations. In addition, the inclusion of viscous interaction significantly improves results obtained at lower Reynolds numbers. The new technique represents a major improvement over current engineering aerothermal methods with only a modest increase in computational effort.

Riley, Christopher J.↗

Finite element methods for integrated aerodynamic heating analysis

Over the past few years finite element based procedures for the solution of high speed viscous compressible flows were developed. The objective of this research is to build upon the finite element concepts which have already been demonstrated and to develop these ideas to produce a method which is applicable to the solution of large scale practical problems. The problems of interest range from three dimensional full vehicle Euler simulations to local analysis of three-dimensional viscous laminar flow. Transient Euler flow simulations involving moving bodies are also to be included. An important feature of the research is to be the coupling of the flow solution methods with thermal/structural modeling techniques to provide an integrated fluid/thermal/structural modeling capability. The progress made towards achieving these goals during the first twelve month period of the research is presented.

Peraire, J.↗

A multidomain global modeling technique for analysis of Space Shuttle main engine

A multidomain global modeling technique is presented. The purpose of this multidomain methodology is to simultaneously analyze the three-dimensional compressible flow field in Space Shuttle main engine components. This technique provides flexibility and modularity for individual domain and also simplifies the grid generation task for each domain. A two-way coupling procedure is adopted for exchanging interface boundary conditions. This algorithm which requires that the adjacent domains share an overlapping grid slab, is fully conservative and implicit. For non-matching grid systems and for non-overlapping interfaces, an interpolation and/or extrapolation procedure is used when transferring the interface boundary conditions at the adjacent domains. To maintain overall conservation, a flux correction method is subsequently used. The coupling procedure was verified by modeling several geometries with features similar to SSME components. Satisfactory results for all test cases were obtained. Finally, this algorithm has been applied to the SSME flow simulation.

Tam, L. T.↗