On the theory of chemical-reaction cross sections. I - A statistical-dynamical model.
Statistical-dynamical model for total chemical reaction cross sections using activated complex concept and integral equation
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Statistical-dynamical model for total chemical reaction cross sections using activated complex concept and integral equation
Numerical integration methods for the solution of initial value problems for ordinary vector differential equations may be modelled as discrete time feedback systems. The stability criteria discovered in modern control theory are applied to these systems and criteria involving the routine, the step size and the differential equation are derived. Linear multistep, Runge-Kutta, and predictor-corrector methods are all investigated.
The linearized integral equation for the Foucault test of a solid mirror was solved by various methods: power series, Fourier series, collocation, iteration, and inversion integral. The case of the Cassegrain mirror was solved by a particular power series method, collocation, and inversion integral. The inversion integral method appears to be the best overall method for both the solid and Cassegrain mirrors. Certain particular types of power series and Fourier series are satisfactory for the Cassegrain mirror. Numerical integration of the nonlinear equation for selected surface imperfections showed that results start to deviate from those given by the linearized equation at a surface deviation of about 3 percent of the wavelength of light. Several possible procedures for calibrating and scaling the input data for the integral equation are described.
Ion radial distribution functions for primitive model of electrolyte solution using Percus- Yevick and convolution-hypernetted-chain integral equations
A new formulation of electromagnetic wave scattering by convex, two-dimensional conducting bodies is reported. This formulation, called the on-surface radiation condition (OSRC) approach, is based upon an expansion of the radiation condition applied directly on the surface of a scatterer. It is now shown that application of a suitable radiation condition directly on the surface of a convex conducting scatterer can lead to substantial simplification of the frequency-domain integral equation for the scattered field, which is reduced to just a line integral. For the transverse magnetic case, the integrand is known explicitly. For the transverse electric case, the integrand can be easily constructed by solving an ordinary differential equation around the scatterer surface contour. Examples are provided which show that OSRC yields computed near and far fields which approach the exact results for canonical shapes such as the circular cylinder, square cylinder, and strip. Electrical sizes for the examples are ka = 5 and ka = 10. The new OSRC formulation of scattering may present a useful alternative to present integral equation and uniform high-frequency approaches for convex cylinders larger than ka = 1. Structures with edges or corners can also be analyzed, although more work is needed to incorporate the physics of singular currents at these discontinuities. Convex dielectric structures can also be treated using OSRC.
In this work, we present a method for simulating the large-scale deformation and crumpling of thin, elastoplastic sheets. Motivated by the physical behavior of thin sheets during crumpling, two different formulations of the governing equations of motion are used: (1) a quasistatic formulation that effectively describes smooth deformations, and (2) a fully dynamic formulation that captures large changes in the sheet's velocity. The former is a differential-algebraic system of equations integrated implicitly in time, while the latter is a set of ordinary differential equations (ODEs) integrated explicitly. We adopt a hybrid integration scheme to adaptively alternate between the quasistatic and dynamic representations as appropriate. Further, we demonstrate the capacity of this method to effectively simulate a variety of crumpling phenomena. Finally, we show that statistical properties, notably the accumulation of creases under repeated loading, as well as the area distribution of facets, are consistent with experimental observations.
Fluid from a reservior at constant pressure and temperature is forced through a porous wall of uniform thickness. The boundary through which the fluid exits has specified variations in pressure and temperature along it in one direction so that the flow and heat transfer are two-dimensional. The local fluid and matrix temperatures are assumed to be equal and therefore a single energy equation governs the temperature distribution within the wall. The solution is obtained by transforming this energy equation into potential plane coordinates, which results in a separable equation. A technique yielding an integral equation is used to adapt the general solution so that it satisfies the variable-pressure boundary condition. Analytical expressions are given for the normal exit velocity and heat flux along the exit boundary. Illustrative examples are carried out which indicate to what extent the solution is locally one-dimensional.
A finite element method is used to predict the admittances of axisymmetric nozzles. It is assumed that the flow in the nozzle is isentropic and irrotational, and the disturbances are small so that linear analyses apply. An approximate, two dimensional compressible model is used to describe the steady flow in the nozzle. The propagation of acoustic disturbances is governed by the complete linear wave equation. The differential form of the acoustic equation is transformed to an integral equation using Galerkin's method, and Green's theorem is applied so that the acoustic boundary conditions can be introduced through the boundary residuals. A two-dimensional FEM using linear elements is used to solve the acoustic equation. A one dimensional FEM is also used to solve the reduced equation of Crocco, and the solution verifies the sufficiency of the boundary residual formulation. Comparison between computed admittances and experimental data is shown to be quite good.
A finite element method is used to predict the admittances of axisymmetric nozzles. It is assumed that the flow in the nozzle is isentropic and the disturbances are small so that linear analyses apply. An approximate, two dimensional compressible model is used to describe the steady flow in the nozzle. The propagation of acoustic disturbances is governed by the complete linear wave equation. The differential form of the acoustic equation is transformed to an integral equation by using Galerkin's method, and Green's theorem is applied so that the acoustic boundary conditions can be introduced through the boundary residuals. The boundary conditions are described for both straight and curved sonic lines. A two dimensional FEM with linear elements is used to solve the acoustic equation. A one dimensional FEM is also used to solve the reduced equation of Crocco, and the solution verifies the sufficiency of the boundary residual formulation. Comparison between computed admittances and experimental data is shown to be quite good.
Direct Boundary Element formulations and their numerical implementation for periodic and transient elastic as well as inelastic transient dynamic analyses of two-dimensional, axisymmetric and three-dimensional solids are presented. The inelastic formulation is based on an initial stress approach and is the first of its kind in the field of Boundary Element Methods. This formulation employs the Navier-Cauchy equation of motion, Graffi's dynamic reciprocal theorem, Stokes' fundamental solution, and the divergence theorem, together with kinematical and constitutive equations to obtain the pertinent integral equations of the problem in the time domain within the context of the small displacement theory of elastoplasticity. The dynamic (periodic, transient as well as nonlinear transient) formulations have been applied to a range of problems. The numerical formulations presented here are included in the BEST3D and GPBEST systems.
The interface crack problem for a composite layer that consists of a homogeneous substrate, coating and a non-homogeneous interface was formulated for singular integral equations with Cauchy kernels and integrated using the Lobatto-Chebyshev collocation technique. Mixed-mode Stress Intensity Factors and Strain Energy Release Rates were calculated. The Stress Intensity Factors were compared for accuracy with relevant results previously published. The parametric studies were conducted for the various thickness of each layer and for various non-homogeneity ratios. Particular application to the Zirconia thermal barrier on steel substrate is demonstrated.
The driving forces for a generally oriented crack embedded in a Functionally Graded strip sandwiched between two half planes are analyzed using singular integral equations with Cauchy kernels, and integrated using Lobatto-Chebyshev collocation. Mixed-mode Stress Intensity Factors (SIF) and Strain Energy Release Rates (SERR) are calculated. The Stress Intensity Factors are compared for accuracy with previously published results. Parametric studies are conducted for various nonhomogeneity ratios, crack lengths. crack orientation and thickness of the strip. It is shown that the SERR is more complete and should be used for crack propagation analysis.
Energy integral equation for dynamic stability flight analysis
We report the method-of-moments implementation of the electric-field integral equation (EFIE) yields many code-verification challenges due to the various sources of numerical error and their possible interactions. Matters are further complicated by singular integrals, which arise from the presence of a Green's function. To address these singular integrals, an approach is presented in wherein both the solution and Green's function are manufactured. Because the arising equations are poorly conditioned, they are reformulated as a set of constraints for an optimization problem that selects the solution closest to the manufactured solution. In this paper, we demonstrate how, for such practically singular systems of equations, computing the truncation error by inserting the exact solution into the discretized equations cannot detect certain orders of coding errors. On the other hand, the discretization error from the optimal solution is a more sensitive metric that can detect orders less than those of the expected convergence rate.
Heat capacity expression due to chemical reaction, relating composition variations and binary diffusion coefficient with Lewis number, presenting integral equation for system enthalpy
Since late 1982 NASA has supported research to develop a numerical variational model for the diagnostic assimilation of conventional and space-based meteorological data. In order to analyze the model components, four variational models are defined dividing the problem naturally according to increasing complexity. The first of these variational models (MODEL I), the subject of this report, contains the two nonlinear horizontal momentum equations, the integrated continuity equation, and the hydrostatic equation. This report summarizes the results of research (1) to improve the way the large nonmeteorological parts of the pressure gradient force are partitioned between the two terms of the pressure gradient force terms of the horizontal momentum equations, (2) to generalize the integrated continuity equation to account for variable pressure thickness over elevated terrain, and (3) to introduce horizontal variation in the precision modulus weights for the observations.
Various through and part-through crack problems in plates and shells are considered. The line-spring model of Rice and Levy is generalized to the skew-symmetric case to solve surface crack problems involving mixed-mode, coplanar crack growth. Compliance functions are introduced which are valid for crack depth to thickness ratios at least up to .95. This includes expressions for tension and bending as well as expressions for in-plane shear, out-of-plane shear, and twisting. Transverse shear deformation is taken into account in the plate and shell theories and this effect is shown to be important in comparing stress intensity factors obtained from the plate theory with three-dimensional solutions. Stress intensity factors for cylinders obtained by the line-spring model also compare well with three-dimensional solution. By using the line-spring approach, stress intensity factors can be obtained for the through crack and for part-through crack of any crack front shape, without recalculation integrals that take up the bulk of the computer time. Therefore, parameter studies involving crack length, crack depth, shell type, and shell curvature are made in some detail. The results will be useful in brittle fracture and in fatigue crack propagation studies. All problems considered are of the mixed boundary value type and are reducted to strongly singular integral equations which make use of the finite-part integrals of Hadamard. The equations are solved numerically in a manner that is very efficient.
Dominant mode field reflection at air-ferrite interface junction in anisotropic rectangular waveguide, deriving singular integral equations for discontinuity problem