Intermolecular interactions in diffusion and reaction
Erdmann’s master's thesis focuses on refining Monte Carlo simulation models at the cellular level—specifically, radiobiological simulations that enable the prediction of indirect DNA damage of ionizing radiation. Until now, intermolecular interactions between chemical particles have not been considered in simulations of these processes, which take place in smallest fractions of a second. To simulate the chemical stage, it is necessary to model both diffusion and reaction of the involved chemical particles. By incorporating the intermolecular forces into the model, it is possible to refine the simulation of the chemical stage and, in particular, the indirect effects of radiation. This is especially relevant for high-LET and FLASH radiation, where large numbers of reactive radicals are concentrated in a confined space within extremely short timeframes.
For those who want to delve deeper into the topic
The algorithmic implementation of Erdmann’s refined diffusion and reaction model enables the analysis of its impact on the temporal development of G values. G values indicate how many species are produced per 100 eV of deposited energy. Since electrostatic interactions have a significant influence on radiochemical yields, they are essential for accurate modeling of the chemical phase.
What’s next?
With the model now refined, its effects will be experimentally validated in follow-up projects. The application of this model to oxygen systems demonstrates how effects resulting from interactions can be specifically amplified and thus made more accessible experimentally. Robin Erdmann continues his research on this topic as part of his doctoral studies.
The award winner studied medical physics at the Technical University of Central Hesse, where he also completed his master's thesis and is currently pursuing his PhD.
The PTW-sponsored award for an outstanding poster in the field of medical dosimetry or radiation physics was presented this year to Florian Katsch for his poster entitled “Monte Carlo Analysis of the Depth-Dependent Dose Response of a Si Diode (IBA RAZORTM) Compared to an Ionization Chamber (Type 34001 PTW Roos®) in Clinical Electron Dosimetry.”