Two Novel Approaches Based on the Thompson Theory and Shape Analysis for Determination of Equilibrium Structures of Nanoclusters: Cu8, Ag8 and Ag18 as study cases
MetadataShow full item record
Two new efficient methods for finding stable atomic clusters are introduced in this work. A purely algebraic and geometrical approach based on shape analysis provides a consistent set for optimization of structures which converge to local and global low-energy configurations. A second proposal based on the Thompson theory gives also candidate structures which became in equilibrium faster than the standard stochastic search models. The performance of the approaches is compared in three metal atomic clusters involving magic numbers. Both methods find the global and local low-energy structures reported in literature, but also obtain new structures. For Cu8, Ag8 and Ag18 the shape analysis method provides more structures than the approach based on Thompson theory. © Published under licence by IOP Publishing Ltd.
- Indexados Scopus 
Showing items related by title, author, creator and subject.
Arteta C.A.; Carrillo J.; Archbold J.; Gaspar D.; Pajaro C.; Araujo G.; Torregroza A.; Bonett R.; Blandon C.; Fernandez-Sola L.R.; Correal J.F.; Mosalam K.M.The response of mid-rise reinforced concrete (RC) buildings in Mexico City after the 2017 Puebla Earthquake is assessed through combined field and computational investigation. The Mw 7.1 earthquake damaged more than 500 ...
Grain Size Reduction Effect on Structural and Magnetic Properties in La1-xSrxMnO3 (x = 0.3 y 0.4) by Mechanical Ball Milling Campillo G.; Osorio J.; Arnache O.; Gil A.; Beltrán J.J.; Dorkis L.We have investigated the magnetic, structural and morphological properties of ferromagnetic phases of manganite La1-xSrxMnO3 with x = 0.3 (LSMO-30) and x = 0.4 (LSMO-40) prepared by solid state reaction method, and then ...
Fractional Diffusion Modulates Distribution of Action Potential Duration in Fibrotic Atrial Strands Ugarte J.P.; Tobon C.; Palacio L.C.; Andrade-Caicedo H.; Saiz J.Background: Fibroblast proliferation, as a component of the fibrotic process, plays a role in structural remodeling, but also can alter the electrophysiology of the cardiomyocytes. Aim: To study the action potential duration ...