Simulation of the ion-induced shock waves effects on the transport of chemically reactive species in ion tracks★
School of Mathematics and Physics, Queen’s University Belfast,
BT7 1NN Belfast, UK
2 Department of Physical Sciences, The Open University, Walton Hall, MK7 6AA Milton Keynes, UK
3 MBN Research Center, Altenhöferallee 3, 60438 Frankfurt am Main, Germany
4 Departament of Physics, Oakland University, Rochester, MI-48309, USA
a e-mail: email@example.com
Received in final form: 9 July 2018
Published online: 7 September 2018
The passage of energetic ions through tissue initiates a series of physico-chemical events which leads to biodamage. The study of such ion-induced biodamage using a multiscale approach to the physics of radiation damage with ions has led to the prediction of shock waves being initiated by concentrated energy deposition along the ion track. In this work the radial energy deposition around carbon ion paths, calculated solving diffusion equations, is augmented with the inclusion of more energetic δ-electrons. The radial profiles of energy deposition and the induced concentrations of free radicals are used to simulate the shock waves by means of reactive classical molecular dynamics, which predict a characteristic distribution of reactive chemical species which may have an as yet unrecognised contribution to the nascent biodamage. The paper also suggests some experimental methods by which such a shock wave may be detected and the predictions of these simulations verified.
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