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The current paper is to investigate the numerical approximation of logistic type chemotaxis models in one space dimension with a free boundary. Such a model with a free boundary describes the spreading of a new or invasive species subject…
In this paper, we consider a coupled chemotaxis-fluid system that models self-organized collective behavior of oxytactic bacteria in a sessile drop. This model describes the biological chemotaxis phenomenon in the fluid environment and…
This work develops a computational and theoretical framework for determining effective permeabilities in anisotropic microscopic geometries containing dense, fibre-like obstacles, motivated by the need to model flow in coiled aneurysm…
Let X be the mild solution to a semilinear stochastic partial differential equation. In this article, we develop methodology to sample from the infinite-dimensional diffusion bridge that arises from conditioning X on a linear transformation…
Molecular dynamics (MD) has long been the de facto choice for simulating complex atomistic systems from first principles. Recently deep learning models become a popular way to accelerate MD. Notwithstanding, existing models depend on…
Estimating the geometric and volumetric properties of transparent deformable liquids is challenging due to optical complexities and dynamic surface deformations induced by container movements. Autonomous robots performing precise liquid…
We are interested in the large-time behavior of solutions to finite volume discretizations of convection-diffusion equations or systems endowed with non-homogeneous Dirichlet and Neumann type boundary conditions. Our results concern various…
Diffusion invariably involves motion within a medium. An universal behavior observed is that self diffusivity exhibits a maximum as a function of the size of the diffusant when the diffusant is confined to a medium, as a result of what is…
We study chaotic behavior and diffusion in the 2D periodic Lorentz gas in the finite-horizon regime. The dynamical observable which we consider is the length of single particle's trajectories, which moves in a triangular array of rigid…
Accounting for geometry-induced changes in the electronic distribution in molecular simulation is important for capturing effects such as charge flow, charge anisotropy and polarization. Multipolar force fields have demonstrated their…
In this paper, we propose a novel unstructured mesh control volume method to deal with the space fractional derivative on arbitrarily shaped convex domains, which to the best of our knowledge is a new contribution to the literature.…
Diffusivity is a key quantity in describing velocity fluctuations in granular materials. These fluctuations are the basis of many thermodynamic and hydrodynamic models which aim to provide a statistical description of granular systems. We…
The experimental literature on the motion of mesoscopic probe particles through polymer solutions is systematically reviewed. The primary focus is the study of diffusive motion of small probe particles. Comparison is made with measurements…
Vorticity distributions in axisymmetric vortex rings produced by a piston-pipe apparatus are numerically studied over a range of Reynolds numbers, $\mathrm{Re}$, and stroke-to-diameter ratios, $L/D$. It is found that a state of advective…
We construct a nearest-neighbour interacting particle system of exclusion type, which illustrates a transition from slow to fast diffusion. More precisely, the hydrodynamic limit of this microscopic system in the diffusive space-time…
The effect of the applied trajectory length on the convergence of the static dielectric constant and the self-diffusion coefficient were examined for the SPC/E water model in the NVT ensemble with different system size at 293 K. Very long…
Diffusion tensor imaging (DTI) is a prevalent neuroimaging tool in analyzing the anatomical structure. The distinguishing feature of DTI is that the voxel-wise variable is a 3x3 positive definite matrix other than a scalar, describing the…
We calculate the self diffusion coefficients $D_S$ for the species $s=1,2$ of a mixture, and show that a general scaling relation $D_2{\sim}D_1^a$ with a non universal exponent $a$ holds. The generalized diffusion coefficients, dependent on…
Detailed calculations of the transport coefficients of a recently introduced particle-based model for fluid dynamics with a non-ideal equation of state are presented. Excluded volume interactions are modeled by means of biased stochastic…
In the boundary layer of multicomponent fluid mixtures, the species-specific mass flux in the wall-normal direction is determined by the combination of turbulent-diffusiophoretic diffusion due to composition gradients, and diffusion due to…