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PARALLEL AUXILIARY SPACE AMG FOR H(curl) PROBLEMS 总被引:2,自引:0,他引:2
In this paper we review a number of auxiliary space based preconditioners for the second order definite and semi-definite Maxwell problems discretized with the lowest order Nedelec finite elements. We discuss the parallel implementation of the most promising of these methods, the ones derived from the recent Hiptmair-Xu (HX) auxiliary space decomposition [Hiptmair and Xu, SIAM J. Numer. Anal., 45 (2007), pp. 2483-2509]. An extensive set of numerical experiments demonstrate the scalability of our implementation on large-scale H(curl) problems. 相似文献
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Miller DJ Öberg H Näslund LÅ Anniyev T Ogasawara H Pettersson LG Nilsson A 《The Journal of chemical physics》2010,133(22):224701
O(2) dissociation on Pt(111) has been followed at low and saturation coverage using temperature-programmed x-ray photoelectron spectroscopy and simulated with mean-field kinetic modeling, yielding dissociation (E(a)) and desorption (E(d)) barriers of 0.32 and 0.36 eV, respectively. Density functional theory calculations show that E(a) is strongly influenced by the O-O interatomic potential in the atomic final state: of the supercells considered, that which maximizes attractive third-nearest-neighbor interactions in the atomic final state yields both the lowest computed dissociation barrier (0.24 eV) and the best agreement with experiment. It is proposed that the effect of adsorbate-adsorbate interactions must be considered when modeling catalytic processes involving dissociative steps. 相似文献
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