Dissociation mechanisms of cluster ions resolved using ab-initio molecular orbital calculations

Nakagawa, Shunichiro; Suzue, I.; Itoh, Masahiro; Kageyama, Motohiro; Mizuno, Yoshiyuki; Whitlow, Harry J.

doi:10.1016/j.jnucmat.2007.01.181

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The Characteristics Of Clusters1

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“…This means that the quantum eŠect would be essential for cluster science. In fact, the ab-initio molecular orbital method (QMO) 5,6) is indispensable to predict and to identify the geometry and stability of a cluster through comparison with experimental results.…”

Section: The Characteristics Of Clustersmentioning

confidence: 99%

Interactions of the Cluster Beams with Solid Surfaces

Nakagawa

2009

J. Vac. Soc. Jpn.

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The characteristics of a cluster beam interaction with a solid target are reviewed from the viewpoint of computer simulation. The similarity and dissimilarity of irradiation eŠects between single and cluster ion beams are the main emphasis of the review. The speed-range of a projectile studied is below the Bethe range (v 1 Ãv 0 Z 1) but not so low, where electronic energy loss is sig-niˆcant. Because of the multiple collisions (in time and space) a classical molecular dynamic simulation is useful, whereas the multiplicity in energy is more signiˆcant for a molecular projectile. Here the collision stage of energy transfer from a projectile to target during the collision stage is separated from the succeeding relaxation stage. The multiplicity in the collision stage can cause molecular eŠects, however they are not always so signiˆcant. In the relaxation stage a somewhat enhanced eŠect can occur when the locally deposited energy exceeds a certain level.

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Section: The Characteristics Of Clustersmentioning

confidence: 99%