{"title":"半透界面陷阱的三维窄捕获问题","authors":"Paul C. Bressloff","doi":"10.1137/22m1535462","DOIUrl":null,"url":null,"abstract":"In this paper we analyze the narrow capture problem for a single Brownian particle diffusing in a three-dimensional (3D) bounded domain containing a set of small, spherical traps. The boundary surface of each trap is taken to be a semipermeable membrane. That is, the continuous flux across the interface is proportional to an associated jump discontinuity in the probability density. The constant of proportionality is identified with the permeability . In addition, we allow for discontinuities in the diffusivity and chemical potential across each interface; the latter introduces a directional bias. We also assume that the particle can be absorbed (captured) within the interior of each trap at some Poisson rate . In the small-trap limit, we use matched asymptotics and Green’s function methods to calculate the splitting probabilities and unconditional mean first passage time (MFPT) to be absorbed by one of the traps. However, the details of the analysis depend on how various parameters scale with the characteristic trap radius . Under the scalings and , we show that the semipermeable membrane reduces the effective capacitance of each spherical trap compared to the standard example of totally absorbing traps. The latter case is recovered in the dual limits and , with equal to the intrinsic capacitance of a sphere, namely, the radius. We also illustrate how the asymptotic expansions are modified when (slow absorption) or (low permeability). Finally, we consider the unidirectional limit in which each interface only allows particles to flow into a trap. The traps then act as partially absorbing surfaces with a constant reaction rate . Combining asymptotic analysis with the encounter-based formulation of partially reactive surfaces, we show how a generalized surface absorption mechanism (non-Markovian) can be analyzed in terms of the capacitances . We thus establish that a wide range of narrow capture problems can be characterized in terms of the effective capacitances of the traps.","PeriodicalId":49791,"journal":{"name":"Multiscale Modeling & Simulation","volume":"22 1","pages":"0"},"PeriodicalIF":1.9000,"publicationDate":"2023-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":"{\"title\":\"The 3D Narrow Capture Problem for Traps with Semipermeable Interfaces\",\"authors\":\"Paul C. Bressloff\",\"doi\":\"10.1137/22m1535462\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In this paper we analyze the narrow capture problem for a single Brownian particle diffusing in a three-dimensional (3D) bounded domain containing a set of small, spherical traps. The boundary surface of each trap is taken to be a semipermeable membrane. That is, the continuous flux across the interface is proportional to an associated jump discontinuity in the probability density. The constant of proportionality is identified with the permeability . In addition, we allow for discontinuities in the diffusivity and chemical potential across each interface; the latter introduces a directional bias. We also assume that the particle can be absorbed (captured) within the interior of each trap at some Poisson rate . In the small-trap limit, we use matched asymptotics and Green’s function methods to calculate the splitting probabilities and unconditional mean first passage time (MFPT) to be absorbed by one of the traps. However, the details of the analysis depend on how various parameters scale with the characteristic trap radius . Under the scalings and , we show that the semipermeable membrane reduces the effective capacitance of each spherical trap compared to the standard example of totally absorbing traps. The latter case is recovered in the dual limits and , with equal to the intrinsic capacitance of a sphere, namely, the radius. We also illustrate how the asymptotic expansions are modified when (slow absorption) or (low permeability). Finally, we consider the unidirectional limit in which each interface only allows particles to flow into a trap. The traps then act as partially absorbing surfaces with a constant reaction rate . Combining asymptotic analysis with the encounter-based formulation of partially reactive surfaces, we show how a generalized surface absorption mechanism (non-Markovian) can be analyzed in terms of the capacitances . We thus establish that a wide range of narrow capture problems can be characterized in terms of the effective capacitances of the traps.\",\"PeriodicalId\":49791,\"journal\":{\"name\":\"Multiscale Modeling & Simulation\",\"volume\":\"22 1\",\"pages\":\"0\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2023-09-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Multiscale Modeling & Simulation\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1137/22m1535462\",\"RegionNum\":4,\"RegionCategory\":\"数学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATHEMATICS, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Multiscale Modeling & Simulation","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1137/22m1535462","RegionNum":4,"RegionCategory":"数学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATHEMATICS, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
The 3D Narrow Capture Problem for Traps with Semipermeable Interfaces
In this paper we analyze the narrow capture problem for a single Brownian particle diffusing in a three-dimensional (3D) bounded domain containing a set of small, spherical traps. The boundary surface of each trap is taken to be a semipermeable membrane. That is, the continuous flux across the interface is proportional to an associated jump discontinuity in the probability density. The constant of proportionality is identified with the permeability . In addition, we allow for discontinuities in the diffusivity and chemical potential across each interface; the latter introduces a directional bias. We also assume that the particle can be absorbed (captured) within the interior of each trap at some Poisson rate . In the small-trap limit, we use matched asymptotics and Green’s function methods to calculate the splitting probabilities and unconditional mean first passage time (MFPT) to be absorbed by one of the traps. However, the details of the analysis depend on how various parameters scale with the characteristic trap radius . Under the scalings and , we show that the semipermeable membrane reduces the effective capacitance of each spherical trap compared to the standard example of totally absorbing traps. The latter case is recovered in the dual limits and , with equal to the intrinsic capacitance of a sphere, namely, the radius. We also illustrate how the asymptotic expansions are modified when (slow absorption) or (low permeability). Finally, we consider the unidirectional limit in which each interface only allows particles to flow into a trap. The traps then act as partially absorbing surfaces with a constant reaction rate . Combining asymptotic analysis with the encounter-based formulation of partially reactive surfaces, we show how a generalized surface absorption mechanism (non-Markovian) can be analyzed in terms of the capacitances . We thus establish that a wide range of narrow capture problems can be characterized in terms of the effective capacitances of the traps.
期刊介绍:
Centered around multiscale phenomena, Multiscale Modeling and Simulation (MMS) is an interdisciplinary journal focusing on the fundamental modeling and computational principles underlying various multiscale methods.
By its nature, multiscale modeling is highly interdisciplinary, with developments occurring independently across fields. A broad range of scientific and engineering problems involve multiple scales. Traditional monoscale approaches have proven to be inadequate, even with the largest supercomputers, because of the range of scales and the prohibitively large number of variables involved. Thus, there is a growing need to develop systematic modeling and simulation approaches for multiscale problems. MMS will provide a single broad, authoritative source for results in this area.