Narrow escape with imperfect reactions.

IF 2.4 3区 物理与天体物理 Q1 Mathematics Physical review. E Pub Date : 2024-11-01 DOI:10.1103/PhysRevE.110.054127
Anıl Cengiz, Sean D Lawley
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Abstract

The imperfect narrow escape problem considers the mean first passage time (MFPT) of a Brownian particle through one of several small, partially reactive traps on an otherwise reflecting boundary within a confining domain. Mathematically, this problem is equivalent to Poisson's equation with mixed Neumann-Robin boundary conditions. Here, we obtain this MFPT in general three-dimensional domains by using strong localized perturbation theory in the small trap limit. These leading-order results involve factors, which are analogous to electrostatic capacitances, and we use Brownian local time theory and kinetic Monte Carlo (KMC) algorithms to rapidly compute these factors. Furthermore, we use a heuristic approximation of such a capacitance to obtain a simple, approximate MFPT, which is valid for any trap reactivity. In addition, we develop KMC algorithms to efficiently simulate the full problem and find excellent agreement with our asymptotic approximations.

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不完全窄逃逸问题考虑的是布朗粒子通过密闭域内原本反射边界上的几个小型部分反应陷阱之一的平均首次通过时间(MFPT)。从数学上讲,这个问题等同于具有新曼-罗宾混合边界条件的泊松方程。在这里,我们利用小陷阱极限的强局部扰动理论,得到了一般三维域中的 MFPT。这些前沿结果涉及类似于静电电容的因子,我们使用布朗局部时间理论和动力学蒙特卡罗(KMC)算法来快速计算这些因子。此外,我们利用对这种电容的启发式近似,得到了一个简单、近似的 MFPT,它对任何捕获器反应性都有效。此外,我们还开发了 KMC 算法来高效模拟整个问题,并发现它与我们的渐近近似值非常吻合。
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来源期刊
Physical review. E
Physical review. E 物理-物理:流体与等离子体
CiteScore
4.60
自引率
16.70%
发文量
0
审稿时长
3.3 months
期刊介绍: Physical Review E (PRE), broad and interdisciplinary in scope, focuses on collective phenomena of many-body systems, with statistical physics and nonlinear dynamics as the central themes of the journal. Physical Review E publishes recent developments in biological and soft matter physics including granular materials, colloids, complex fluids, liquid crystals, and polymers. The journal covers fluid dynamics and plasma physics and includes sections on computational and interdisciplinary physics, for example, complex networks.
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