# Questions tagged [diffusion]

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### Unfolding folded trajectories for Diffusivity calculation - MD

I have just started using dl_poly classic to work in Molecular Dynamics simulations. It produces a HISTORY file which records the trajectory after applying boundary conditions. Now, here I don't ...
156 views

### Problem with Richardson extrapolation method for weak convergence in SDE

I have implemented the Richardson extrapolation of the Euler-Maruyama method to 4th order, to estimate the moments of SDE. The Euler-Maruyama works, and I would expect the Richardson extrapolation to ...
312 views

### 3D Diffusion Equation in Fourier space

I'm solving the 3D Diffusion equation $$u_t=k(u_{xx}+u_{yy}+u_{zz})$$ in MATLAB using Fourier techniques. I assume a 3D Fourier expansion $(e^{-ipx},e^{-imy},e^{-imz})$of the solution. Physical ...
683 views

### Diffusion coefficient when simulating in 2D

Suppose I want to simulate the well-known diffusion partial differential equation in 2D, for example with finite elements or finite differences. Can I directly take physical diffusion coefficients ...
146 views

### Discontinuity at Interface

The equation at the left of the interface is \begin{equation} \displaystyle\frac{\partial C_i}{\partial t} = D_i \nabla^2 C_i - z_i \frac{D_i}{RT}F \nabla \cdot (C_i \nabla \phi_2) \end{equation} ...
2k views

### 9-point stencil finite difference Laplacian with variable diffusion coefficients

So I'm trying to implement a 9-point stencil discretization to the 2D difussion equation. The stencil is here. However, most of the literature deals with a Laplacian that has a constant diffusion ...
113 views

### Reducing oscillations a 3D Alternating direction explicit scheme for the diffusion equation?

Hi I have made a 3D alternating direction explicit scheme for solving the diffusion equation, which will eventually replace a FTCS scheme in model of bubble dynamics in tissue. I have been testing it ...
798 views

### Determining if samples fit a 3D Gaussian distribution

I have a collection of sample particles, with (x,y,z) coordinates generated by a simplified Monte Carlo-like code. I expect that these particles will follow an anisotropic diffusion process, which ...
181 views

### Not getting correct numerical solution for Advection-Diffusion-Reaction eqn

Objective: I am trying to numerically solve $C(x,y,t)$ from the following advection-diffusion-reaction equation in 2D space (x,y) and time. I will be testing my numerical solution with an approximate ...
233 views

### 1 D Diffusion equation FDM with different layers

I'm trying to solve this particular equation $\frac{\partial u}{\partial t} = \frac{\partial}{\partial x} \big[D_{i}(x)\frac{\partial u}{\partial x} \big] + S(x,t)$ where the $i$ index denotes ...
77 views

### Reaction-Diffusion problem A->B, solving for B

I need to solve a Reaction-Diffusion using Finite Elements, piecewise linear elements. In this problem, a reaction $A \rightarrow B$, with rate law $r_A = - k_A \cdot u_A$, takes part, where $u_i$ ...
271 views

### Model of heat sink problem with fan

I am trying to solve this problem using advection-diffusion model and finite element method for the solution, due to the complex geometry. Basically the problem i'm trying to solve using OpenFOAM is ...
145 views