Fractional Chemotaxis Diffusion Equations

We introduce mesoscopic and macroscopic model equations of chemotaxis with anomalous subdiffusion for modelling chemically directed transport of biological organisms in changing chemical environments with diffusion hindered by traps or macro-molecular crowding. The mesoscopic models are formulated using Continuous Time Random Walk master equations and the macroscopic models are formulated with fractional order differential equations. Different models are proposed depending on the timing of the chemotactic forcing. Generalizations of the models to include linear reaction dynamics are also derived. Finally a Monte Carlo method for simulating anomalous subdiffusion with chemotaxis is introduced and simulation results are compared with numerical solutions of the model equations. The model equations developed here could be used to replace Keller-Segel type equations in biological systems with transport hindered by traps, macro-molecular crowding or other obstacles.Comment: 25page

Fractional Fokker-Planck Equations for Subdiffusion with Space-and-Time-Dependent Forces

We have derived a fractional Fokker-Planck equation for subdiffusion in a general space-and- time-dependent force field from power law waiting time continuous time random walks biased by Boltzmann weights. The governing equation is derived from a generalized master equation and is shown to be equivalent to a subordinated stochastic Langevin equation.Comment: 5 page

Fractional chemotaxis diffusion equations

We introduce mesoscopic and macroscopic model equations of chemotaxis with anomalous subdiffusion for modeling chemically directed transport of biological organisms in changing chemical environments with diffusion hindered by traps or macromolecular crowding. The mesoscopic models are formulated using continuous time random walk equations and the macroscopic models are formulated with fractional order differential equations. Different models are proposed depending on the timing of the chemotactic forcing. Generalizations of the models to include linear reaction dynamics are also derived. Finally a Monte Carlo method for simulating anomalous subdiffusion with chemotaxis is introduced and simulation results are compared with numerical solutions of the model equations. The model equations developed here could be used to replace Keller-Segel type equations in biological systems with transport hindered by traps, macromolecular crowding or other obstacles

Anomalous subdiffusion with multispecies linear reaction dynamics

We have introduced a set of coupled fractional reaction-diffusion equations to model a multispecies system undergoing anomalous subdiffusion with linear reaction dynamics. The model equations are derived from a mesoscopic continuous time random walk formulation of anomalously diffusing species with linear mean field reaction kinetics. The effect of reactions is manifest in reaction modified spatiotemporal diffusion operators as well as in additive mean field reaction terms. One consequence of the nonseparability of reaction and subdiffusion terms is that the governing evolution equation for the concentration of one particular species may include both reactive and diffusive contributions from other species. The general solution is derived for the multispecies system and some particular special cases involving both irreversible and reversible reaction dynamics are analyzed in detail. We have carried out Monte Carlo simulations corresponding to these special cases and we find excellent agreement with theory

Multiple core hole formation by free-electron laser radiation in molecular nitrogen

We investigate the formation of multiple-core-hole states of molecular nitrogen interacting with a free-electron laser pulse. We obtain bound and continuum molecular orbitals in the single-center expansion scheme and use these orbitals to calculate photo-ionization and Auger decay rates. Using these rates, we compute the atomic ion yields generated in this interaction. We track the population of all states throughout this interaction and compute the proportion of the population which accesses different core-hole states. We also investigate the pulse parameters that favor the formation of these core-hole states for 525 eV and 1100 eV photons

Generalised fractional diffusion equations for subdiffusion on arbitrarily growing domains

Many physical phenomena occur on domains that grow in time. When the timescales of the phenomena and domain growth are comparable, models must include the dynamics of the domain. A widespread intrinsically slow transport process is subdiffusion. Many models of subdiffusion include a history dependence. This greatly confounds efforts to incorporate domain growth. Here we derive the fractional partial differential equations that govern subdiffusion on a growing domain, based on a Continuous Time Random Walk. This requires the introduction of a new, comoving, fractional derivative.Comment: 12 pages, 1 figur

Surface width scaling in noise reduced Eden clusters

The surface width scaling of Eden A clusters grown from a single aggregate site on the square lattice is investigated as a function of the noise reduction parameter. A two-exponent scaling ansatz is introduced and used to fit the results from simulations covering the range from fully stochastic to the zero-noise limit.Comment: 4 pages, RevTex, 3 figure