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• Wiley-Blackwell  (3)
• 1990-1994  (2)
• 1970-1974  (1)
• 1
Electronic Resource
Chichester [u.a.] : Wiley-Blackwell
ISSN: 0029-5981
Keywords: Engineering ; Engineering General
Source: Wiley InterScience Backfile Collection 1832-2000
Topics: Mathematics , Technology
Notes: Consider a solid heat conductor with a non-linear constitutive equation for the heat flux. If the material is anisotropic and inhomogeneous, the heat conduction equation to be satisfied by the temperature field θ(x, t) is, \documentclass{article}\pagestyle{empty}\begin{document}$$\rho c\frac{{\partial \theta }}{{\partial t}} = {\rm div}({\rm L}(\theta,{\rm x})[{\rm grad}\theta]) + q$$\end{document} Here L(θ, x) [grad θ] is a vector-valued function of θ, x, grad θ which is linear in grad θ, In the present paper, the application of the finite element method to the solution of this class of problems is demonstrated. General discrete models are developed which enable approximate solutions to be obtained for arbitrary three-dimensional regions and the following boundary and initial conditions: (a) prescribed surface temperature, (b) prescribed heat flux at the surface and (c) linear heat transfer at the surface. Numerical examples involve a homogeneous solid with a dimensionless temperature-diffusivity curve of the form κ = κ0(l + σT). The resulting system of non-linear differential equations is integrated numerically.
Type of Medium: Electronic Resource
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• 2
Electronic Resource
New York, NY : Wiley-Blackwell
ISSN: 0020-7608
Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
Source: Wiley InterScience Backfile Collection 1832-2000
Topics: Chemistry and Pharmacology
Notes: The Möbius transformations recently proposed for integrating functions with a sharp peak close to a single boundary of integration (H.H.H. Homeier and E.O. Steinborn, J. Comput. Phys. 87, 61, 1990) are used to extend Ruedenberg's algorithm for two-center exchange integrals to cases with very diffuse STOs. © 1994 John Wiley & Sons, Inc.
Type of Medium: Electronic Resource
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• 3
Electronic Resource
New York, NY : Wiley-Blackwell
ISSN: 0020-7608
Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
Source: Wiley InterScience Backfile Collection 1832-2000
Topics: Chemistry and Pharmacology
Notes: A one-range expansion of the 0s-STO - previously reported by us - is employed to derive explicit expressions for the elements of auxiliary matrices - appearing in the calculation of one- and two-electron multicenter integrals with STOS - in the form of infinite series. Then, we are able to perform the formal summation of the series giving both closed expressions for these elements and several relations between them. A computational algorithm based on these formal developments is proposed and its numerical behavior is analyzed.