TY - JOUR
T1 - Two Novel Approaches Based on the Thompson Theory and Shape Analysis for Determination of Equilibrium Structures of Nanoclusters
AU - Arias, Elkin
AU - Caro-Lopera, Francisco Jose
AU - Flórez, Elizabeth
AU - Pérez-Torres, Jhon Fredy
N1 - Publisher Copyright:
© Published under licence by IOP Publishing Ltd.
Copyright:
Copyright 2019 Elsevier B.V., All rights reserved.
PY - 2019/6/17
Y1 - 2019/6/17
N2 - 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.
AB - 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.
KW - Equilibrium Structures
KW - Metal Nanoclusters
UR - http://www.scopus.com/inward/record.url?scp=85071067150&partnerID=8YFLogxK
U2 - 10.1088/1742-6596/1247/1/012008
DO - 10.1088/1742-6596/1247/1/012008
M3 - Artículo de la conferencia
AN - SCOPUS:85071067150
VL - 1247
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
SN - 1742-6588
IS - 1
M1 - 012008
Y2 - 22 October 2018 through 26 October 2018
ER -