Molecular scale track structure simulations in liquid water using the Geant4-DNA Monte-Carlo processes

Area of Science:

• * Physics and Biophysics: Investigating the fundamental interactions of ionizing radiation with matter at the nanoscale.

Background:

• * Understanding the initial physical and chemical events following irradiation is crucial for radiobiology and radiation protection.
• * Liquid water is a primary target molecule in biological systems, making its response to radiation critical.

Purpose of the Study:

• * To simulate and analyze the energy deposition patterns of various ionizing particles in liquid water.
• * To generate detailed particle track structures at the molecular scale using advanced simulation tools.

Main Methods:

• * Utilized the Geant4-DNA toolkit, a Monte Carlo simulation toolkit, to model particle interactions.
• * Simulated electrons, protons, hydrogen atoms, and alpha particles across a range of energies and charge states.
• * Calculated electron ranges and lineal energies for protons within nanometric and micrometric volumes.

Main Results:

• * Generated detailed molecular-scale track structures of energy deposits from simulated particles.
• * Quantified electron ranges and lineal energy distributions for protons in specified volume sizes.

Conclusions:

• * The study provides a detailed molecular-level understanding of energy deposition by ionizing particles in liquid water.
• * Findings contribute to more accurate dosimetry and radiobiological modeling by providing fundamental interaction data.