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The nanometric track-structure of energetic ion beams in biological mediadetermines the direct physical damage to living cells, which is one of the mainresponsibles of their killing or inactivation during radiotherapy treatments orunder cosmic radiation bombardment. In the present work, detailedtrack-structure Monte Carlo simulations, performed with the code SEED(Secondary Electron Energy Deposition), are presented for carbon ions in a wideenergy range in liquid water. Liquid water is the main constituent ofbiological tissues, and carbon ions are one of the most promising projectilescurrently available for ion beam cancer therapy. The simulations are based onaccurate cross sections for the different elastic and inelastic eventsdetermining the interaction of charged particles with condensed-phasematerials. The latter are derived from the ab initio calculation of theelectronic excitation spectrum of liquid water by means of time-dependentdensity functional theory (TDDFT), which is then used within the dielectricformalism to obtain inelastic electronic cross sections for both carbon ionsand secondary electrons. Both the ionisation cross sections of water by carbonions and the excitation and ionisation cross sections for electron impact areobtained in very good agreement with known experimental data. The elasticscattering cross sections for electrons in condensed-phase water are alsoobtained from ab initio calculations by solving the Dirac-Hartree-Fockequation. The detailed simulations fed with reliable cross sections allow toassess the contribution of different physical mechanisms (electronicexcitation, ionisation and dissociative electron attachment -DEA-) to thecarbon ion-induced direct biodamage.

Simulating the nanometric track-structure of carbon ion beams in liquid water at energies relevant for hadrontherapy