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- Title
Collisions between a single gold atom and 13 atom gold clusters: an ab initio approach.
- Authors
Muñoz, F.; Rogan, J.; García, G.; Ramírez, M.; Valdivia, J. A.; Ramírez, R.; Kiwi, M.
- Abstract
Collision processes between a single gold atom and a gold cluster are investigated by means of ab initio techniques. The targets we consider are minimum energy 13 gold atom clusters. The kinetic energy of the projectile and its impact parameter are chosen within a range such that the three regimes we are mainly interested in studying (fusion, scattering and fragmentation) are realized. The results of the collision processes are treated using density functional theory molecular dynamics (DFT-MD), analyzed in detail, and compared with previous work, which was carried out using phenomenological potentials and classical molecular dynamics. The differences between classical MD and DFT-MD are quite significant.
- Subjects
COLLISIONS (Nuclear physics); GOLD; STOPPING power (Nuclear physics); FUSION (Phase transformation); SCATTERING (Physics); NUCLEAR fragmentation; DENSITY functionals; PHENOMENOLOGICAL theory (Physics); MOLECULAR dynamics
- Publication
European Physical Journal D (EPJ D), 2011, Vol 61, Issue 1, p87
- ISSN
1434-6060
- Publication type
Article
- DOI
10.1140/epjd/e2010-10195-x