Thermal equilibrium and prehydration processes of electrons injected into liquid water calculated by dynamic Monte Carlo method
Thermal equilibrium and prehydration processes of electrons injected into liquid water calculated by dynamic Monte Carlo method
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DOI：
10.1016/j.radphyschem.2015.05.021
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发表时间：
2015-10-01
影响因子：
2.9
通讯作者：
Watanabe, Ritsuko
中科院分区：
文献类型：
--
作者：
Kai, Takeshi;Yokoya, Akinari;Watanabe, Ritsuko
用动态蒙特卡罗程序模拟了初始电子能量范围为0.1 eV~100keV的电子在液态水中的热化长度和空间分布。结果表明，在比先前预测的更长的时间内，电子被减速以进行热化。如此长的热化时间极大地促进了从初始电离到水化的一系列过程。我们进一步研究了入射能量为1 eV时电子的特殊减速过程，重点研究了减速电子的总轨道长度、平均行进距离和能量分布的时间演化。初始预水化时间和热化时间分别约为50和220fs，表明初始预水化是在热平衡之前或同时开始的。根据这些结果，初步认为预水合电子在DNA多次损伤诱导过程中起重要作用。(C)2015爱思唯尔有限公司。保留所有权利。
The thermalization length and spatial distribution of electrons in liquid water were simulated for initial electron energies ranging from 0.1 eV to 100 keV 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 1 eV, 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 220 fs, 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. (C) 2015 Elsevier Ltd. All rights reserved.