Jeong Darae, Kim Junseok
Department of Mathematics, Korea University, 136-713, Seoul, Republic of Korea.
Eur Phys J E Soft Matter. 2015 Nov;38(11):117. doi: 10.1140/epje/i2015-15117-1. Epub 2015 Nov 20.
We investigate microphase separation patterns on curved surfaces in three-dimensional space by numerically solving a nonlocal Cahn-Hilliard equation for diblock copolymers. In our model, a curved surface is implicitly represented as the zero level set of a signed distance function. We employ a discrete narrow band grid that neighbors the curved surface. Using the closest point method, we apply a pseudo-Neumann boundary at the boundary of the computational domain. The boundary treatment allows us to replace the Laplace-Beltrami operator by the standard Laplacian operator. In particular, we can apply standard finite difference schemes in order to approximate the nonlocal Cahn-Hilliard equation in the discrete narrow band domain. We employ a type of unconditionally stable scheme, which was introduced by Eyre, and use the Jacobi iterative to solve the resulting implicit discrete system of equations. In addition, we use the minimum number of grid points for the discrete narrow band domain. Therefore, the algorithm is simple and fast. Numerous computational experiments are provided to study microphase separation patterns for diblock copolymers on curved surfaces in three-dimensional space.
我们通过数值求解双嵌段共聚物的非局部Cahn-Hilliard方程,研究三维空间中曲面上的微相分离模式。在我们的模型中,曲面隐含地表示为有符号距离函数的零水平集。我们采用与曲面相邻的离散窄带网格。使用最近点方法,我们在计算域的边界处应用伪诺伊曼边界条件。这种边界处理使我们能够用标准拉普拉斯算子代替拉普拉斯 - 贝尔特拉米算子。特别是,我们可以应用标准有限差分格式来逼近离散窄带域中的非局部Cahn-Hilliard方程。我们采用了一种由艾尔引入的无条件稳定格式,并使用雅可比迭代法来求解由此产生的隐式离散方程组。此外,我们在离散窄带域中使用最少数量的网格点。因此,该算法简单且快速。我们提供了大量的计算实验来研究三维空间中曲面上双嵌段共聚物的微相分离模式。