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Effect of surface emittance and approximate kernels in radiation-conduction interaction (1970)

Schimmel, W. P. ; Novotny, J. L. ; Kast, S.

Springer

Heat and mass transfer 3 (1970), S. 1-6

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ISSN: 1432-1181

Source: Springer Online Journal Archives 1860-2000

Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics

Description / Table of Contents: Zusammenfassung Repräsentative Resultate der Wechsel-wirkung zwischen Leitung und Strahlung eines nicht grauen Gases, zwischen zwei unendlichen, parallelen, grauen Platten, werden mitgeteilt. Der Einfluß des Reflexionsgrades der Platten auf die Wechselwirkung zwischen Leitung und Strahlung für diffuse Oberflächen wird untersucht; ebenso ein spezieller Fall von einer schwarzen Platte kombiniert mit einer diffus strahlenden und spiegelnd reflektierenden Platte. Zusätzlich wird die Genauigkeit der Näherung eines eingliedrigen Exponential-Kernes diskutiert.

Notes: Abstract Representative results are presented for nongray radiation-conduction interaction in a radiating gas bounded by two gray infinite parallel plates. The effect of the surface emittanee on the interaction of radiation with conduction for diffuse surfaces and a special case of one black surface combined with a diffusely emitting, specularly reflecting surface is investigated. Additionally, the accuracy of the one-term exponential kernel approximation is examined.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF01881217

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Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: A quantitative study (1997)

Dufner, H. ; Kast, S. M. ; Brickmann, J. ; [et al.]

New York, NY [u.a.] : Wiley-Blackwell

Journal of Computational Chemistry 18 (1997), S. 660-676

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ISSN: 0192-8651

Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Computer Science

Notes: The calculated Madelung energies and Madelung forces of the electrostatic interaction for nine crystal structures are reported. The method of direct summation with two different shifted-force potentials is compared to the Ewald summation. There is a considerable difference in the convergence of the energy and the force for the two shifted-force potentials regarding the cutoff radius. The convergence depends not only on the potential itself, but also on the crystal structure. One of the shifted-force potentials used is implemented in the CHARMM force field. The energy calculated with this potential shows a good convergence for small cutoff radii. With the other shifted-force potential, the force shows a better convergence for small cutoff radii. The number of pair interactions for obtaining the Madelung limit using the Ewald summation and the direct summation of a shifted-force potential is also reported. For complex structures like zeolites, the number of relevant pair interactions is smaller using the direct summation of a shifted-force potential. For simple structures such as cesium chloride, the number of significant pair interactions is smaller using the Ewald summation. © 1997 by John Wiley & Sons, Inc.

Additional Material: 9 Ill.

Type of Medium: Electronic Resource

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