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Microscopic studies of atom-water collisions

Z.P. Wang, P.M. Dinh, P.-G. Reinhard, E. Suraud, G. Bruny, C. Montano, S. Feil, S. Eden, H. Abdoul-Carime, B. Farizon, M. Farizon, S. Ouaskit, and T.D. Maerk

par Mai Seve-Dinh - 30 avril 2009

The influences of water molecules surrounding biological molecules during irradiation with heavy particles (atoms,ions) are currently a major subject in radiation science on a molecular level. In order to elucidate the underlying complex reaction mechanisms we have initiated a joint experimental and theoretical investigation with the aim to make direct comparisons between experimental and theoretical results. As a first step, studies of collisions of a water molecule with a neutral projectile (C atom) at high velocities (> 0.1 a.u.), and with a charged projectile (proton) at low velocities (< 0.1 a.u.) have been studied within the microscopic framework. In particular, time-dependent density functional theory (TDDFT) was applied to the valence electrons and coupled non-adiabatically to Molecular dynamics (MD) for ionic cores. Complementary experimental developments have been carried out to study projectile interactions with accelerated (< 10 keV) and mass-selected cluster ions. The first size distributions of protonated water cluster ions H+(H_2O)_n (n=2-39) produced using this new apparatus are presented.