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arXiv 2309.03431math.PRmath-phmath.APmath.DSmath.MP
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基于粒子的随机反应-漂移-扩散模型的平均场极限

Mean field limits of particle-based stochastic reaction-drift-diffusion models

Max Heldman, Samuel A. Isaacson, Qianhan Liu, Konstantinos Spiliopoulos

AI总结:

该研究推导并证明了含单体和两体势作用的粒子随机反应-漂移-扩散模型的平均场大种群极限,得到粗粒度确定性偏积分-微分方程,推广了纯扩散模型的相关结果,还通过数值验证了势的影响及收敛性。

摘要:

我们研究基于粒子的随机反应-漂移-扩散模型,其中粒子通过由单体和两体势相互作用诱导的扩散和漂移进行运动。粒子的动力学被表述为测度值随机过程(MVSPs),该过程描述了每种化学物质的奇异随机浓度场的演化。我们推导并证明了此类模型的平均场大种群极限,得到了用于描述极限确定性浓度场动力学的粗粒度确定性偏积分-微分方程(PIDEs)。我们推广了以往仅涉及扩散运动的模型的平均场极限研究,特别注意构建MVSP表示以确保在存在势的情况下可逆反应的细致平衡。我们的工作阐明了平均场极限中出现的更广泛的PIDE集合,证明了与纯扩散情况相比,可逆反应的极限宏观反应相互作用项获得了额外的依赖于浓度的非线性系数。数值研究表明,两体排斥势相互作用可对反应动力学产生显著影响,同时也证明了随着种群规模增大,PBSRDD模型的解在经验数值上收敛于推导得到的平均场PIDEs。

英文摘要:

We consider particle-based stochastic reaction-drift-diffusion models where particles move via diffusion and drift induced by one- and two-body potential interactions. The dynamics of the particles are formulated as measure-valued stochastic processes (MVSPs), which describe the evolution of the singular, stochastic concentration fields of each chemical species. The mean field large population limit of such models is derived and proven, giving coarse-grained deterministic partial integro-differential equations (PIDEs) for the limiting deterministic concentration fields' dynamics. We generalize previous studies on the mean field limit of models involving only diffusive motion, with care to formulating the MVSP representation to ensure detailed balance of reversible reactions in the presence of potentials. Our work illustrates the more general set of PIDEs that arise in the mean field limit, demonstrating that the limiting macroscopic reactive interaction terms for reversible reactions obtain additional nonlinear concentration-dependent coefficients compared to the purely diffusive case. Numerical studies are presented which illustrate that two-body repulsive potential interactions can have a significant impact on the reaction dynamics, and also demonstrate the empirical numerical convergence of solutions to the PBSRDD model to the derived mean field PIDEs as the population size increases.

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