화학공학소재연구정보센터
Applied Surface Science, Vol.226, No.1-3, 26-30, 2004
Cluster fragmentation and cluster beam steering studied by dynamic reaction coordinate and molecular dynamics calculations
In this study either cluster fragmentation, using a time-dependent Hartree-Fock formulation, or cluster deposition, based on classical molecular dynamics, have been studied. An exhaustive analysis has been performed on the many parameters acting on the two processes. Fragmentation calculations show a primary dependence on the input energy whereas the interatomic forces play a primary role in deposition. However the central result of this study is the essential agreement between the classical and quantum mechanical calculation. (C) 2003 Elsevier B.V. All rights reserved.