MONTE-CARLO SIMULATION OF DIFFUSION AND REACTION IN RADIATION-INDUCED SPURS - COMPARISONS WITH ANALYTIC MODELS
MONTE-CARLO SIMULATION OF DIFFUSION AND REACTION IN RADIATION-INDUCED SPURS - COMPARISONS WITH ANALYTIC MODELS
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DOI：
10.1021/j100397a022
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发表时间：
1982-01-01
影响因子：
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通讯作者：
PILLING, MJ
中科院分区：
文献类型：
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作者：
CLIFFORD, P;GREEN, NJB;PILLING, MJ
通过在立方晶格上使用随机游走来模拟包含一种自由基的辐射引起的杂散反应。模拟结果与单粒子密度函数演化和两个粒子之间反应的分析结果令人满意地一致。对于包含两个以上粒子的支刺，没有可用的精确分析处理。给出了最初包含最多六个粒子的系统的模拟结果。将模拟与具有或不具有时间相关速率常数的规定扩散近似值进行比较，并且规定扩散的近似值被证明是不充分的。然而，与前一篇论文中开发的随机独立对模型获得了令人满意的一致性。
Reaction in radiation-induced spurs, containing one type of radical, is simulated by using random walks on a cubic lattice. The simulations are shown to agree satisfactorily with analytical results for the evolution of a single-particle density function and for the reaction between two particles. For spurs containing more than two particles, no exact analytical treatments are available. Results of simulations are presented for systems initially containing up to six particles. The simulations are compared with prescribed diffusion approximations, both with and without time-dependent rate constants, and the approximations of prescribed diffusion are shown to be inadequate. Satisfactory agreement, however, is obtained with thestochastic independent pair model developed in the previouspaper.