The effect of ion-induced shock waves on the transport of reacting species around energetic ion tracks

Abstract

The passage of energetic ions through tissue initiates a series of physico-chemical events, which lead to biodamage. The study of this scenario using a multiscale approach brought about the theoretical prediction of shock waves initiated by energy deposited within ion tracks. These waves are being explored in this letter in different aspects. The radial dose that sets their initial conditions is calculated using diffusion equations extended to include the effect of energetic $\delta$-electrons. The resulting shock waves are simulated by means of reactive classical molecular dynamics. The simulations predict a characteristic distribution of reactive species which may have a significant contribution to biodamage, and also suggests experimental means to detect the shock waves.

arXiv comment5 pages, 3 figures

References in corpus (7)

• Physics of ion beam cancer therapy: a multi-scale approach
• Reactive Molecular Dynamics study on the first steps of DNA-damage by free hydroxyl radicals
• A molecular dynamics simulation of DNA damage induction by ionizing radiation
• Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology
• Transport of secondary electrons and reactive species in ion tracks
• Molecular dynamics study of accelerated ion-induced shock waves in biological media
• Radial doses around energetic ion tracks and the onset of shock waves on the nanoscale

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• Irradiation driven molecular dynamics: A review
• Advances in multiscale modeling for novel and emerging technologies
• A molecular dynamics simulation of the abrupt changes in the thermodynamic properties of water after formation of nano-bubbles / nano-cavities induced by passage of charged particles
• Interaction of hydrogen peroxide molecules with non-specific DNA recognition sites
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