Efficient Computational Modeling of Electronic Stopping Power of Organic Polymers for Proton Therapy Optimization

Overview

Journal Sci Rep

Specialty Science

Date 2024 Apr 29

PMID 38684890

Authors

F Matias

T F Silva

N E Koval

J J N Pereira

P C G Antunes

P T D Siqueira

M H Tabacniks

H Yoriyaz

J M B Shorto

P L Grande

Affiliations

Soon will be listed here.

Abstract

This comprehensive study delves into the intricate interplay between protons and organic polymers, offering insights into proton therapy in cancer treatment. Focusing on the influence of the spatial electron density distribution on stopping power estimates, we employed real-time time-dependent density functional theory coupled with the Penn method. Surprisingly, the assumption of electron density homogeneity in polymers is fundamentally flawed, resulting in an overestimation of stopping power values at energies below 2 MeV. Moreover, the Bragg rule application in specific compounds exhibited significant deviations from experimental data around the stopping maximum, challenging established norms.

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