Thermal equilibrium and prehydration processes of electrons injected into liquid water calculated by dynamic Monte Carlo method

• Published in: Radiation physics and chemistry (Oxford, England : 1993) Vol. 115; pp. 1 - 5
• Main Authors: Kai, Takeshi, Yokoya, Akinari, Ukai, Masatoshi, Fujii, Kentaro, Watanabe, Ritsuko
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.10.2015
• Subjects: Computer simulation; Deceleration; Dynamic Monte Carlo method; Dynamics; Electron deceleration in liquid water; Electron thermalization; Evolution; Monte Carlo methods; Prehydration; Spatial distribution; Tracking; Water; Electron thermalization; Prehydration; Electron deceleration in liquid water; Dynamic Monte Carlo method
• ISSN: 0969-806X; 1879-0895
• DOI: 10.1016/j.radphyschem.2015.05.021

The thermalization length and spatial distribution of electrons in liquid water were simulated for initial electron energies ranging from 0.1eV to 100keV using a dynamic Monte Carlo code. The results showed that electrons were decelerated for thermalization over a longer time period than was previously predicted. This long thermalization time significantly contributed to the series of processes from initial ionization to hydration. We further studied the particular deceleration process of electrons at an incident energy of 1eV, focusing on the temporal evolution of total track length, mean traveling distance, and energy distributions of decelerating electrons. The initial prehydration time and thermalization periods were estimated to be approximately 50 and 220fs, respectively, indicating that the initial prehydration began before or contemporaneously with the thermal equilibrium. Based on these results, the prehydrated electrons were suggested to play an important role during multiple DNA damage induction. •Electron deceleration process in liquid water was calculated.•Thermalization lengths calculated is consistent with previously experimental ones.•Initial prehydration may begin contemporaneously with the thermal equilibrium.