Calculation of heavy-ion tracks in liquid water

Detailed Monte Carlo calculations are presented of proton and alpha-particle tracks in liquid water. The computations treat the interactions of the primary particle and all secondary electrons on a statistical, event-by-event basis to simulate the initial physical changes that accompany the passage of an ion through water. Our methods for obtaining the cross sections needed for such calculations are described. Inelastic scattering probabilities (inverse mean free paths) are derived from a complex dielectric response function constructed for liquid water, based on experimental and theoretical data. Examples of partial cross sections for ionization and excitation by protons are shown. The computation of electron transport and energy loss includes exchange, elastic scattering, and a scheme for the delocalization of energy shared collectively by a large number of electrons in the condensed medium. Several examples of calculated proton and alpha-particle tracks are presented and discussed. The meaning and significance of the concept of a track core are briefly addressed in the light of this work. The present paper treats only the initial, physical changes produced by radiation in water (in approximately 10(-15) s in local regions of a track). The work described here is used in calculations that we have reported in other publications on the later chemical development of charged-particle tracks.