A Method to Calculate the Spherical Multipole Expansion of the Electrostatic Charge Distribution on a Triangular Boundary Element

نویسندگان

  • John Barrett
  • Joseph Formaggio
  • Thomas Corona
چکیده

We describe a technique to analytically compute the multipole moments of a charge distribution confined to a planar triangle, which may be useful in solving the Laplace equation using the fast multipole boundary element method (FMBEM) and for charged particle tracking. This algorithm proceeds by performing the necessary integration recursively within a specific coordinate system, and then transforming the moments into the global coordinate system through the application of rotation and translation operators. This method has been implemented and found use in conjunction with a simple piecewise constant collocation scheme, but is generalizable to non-uniform charge densities. When applied to low aspect ratio (≤ 100) triangles and expansions with degree up to 32, it is accurate and efficient compared to simple two-dimensional Gauss-Legendre quadrature.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Electrostatic analysis of the charged surface in a solution via the finite element method: The Poisson-Boltzmann theory

Electrostatic potential as well as the local volume charge density are computed for a macromolecule by solving the Poisson-Boltzmann equation (PBE) using the finite element method (FEM). As a verification, our numerical results for a one dimensional PBE, which corresponds to an infinite-length macromolecule, are compared with the existing analytical solution and good agreement is found. As a ma...

متن کامل

Coarse-graining the electrostatic potential via distributed multipole expansions

Multipole expansions offer a natural path to coarse-graining the electrostatic potential. However, the validity of the expansion is restricted to regions outside a spherical enclosure of the distribution of charge and, therefore, not suitable for most applications that demand accurate representation at arbitrary positions around the molecule. We propose and demonstrate a distributed multipole e...

متن کامل

Resolving a distribution of charge into intrinsic multipole moments: a rankwise distributed multipole analysis.

We present a method for the rankwise distributed multipole analysis of an arbitrary distribution of charge and its surrounding field. Using the superposition principle, the electrostatic field created by a distribution of charge can be resolved recursively into the contributions of a set of intrinsic multipole moments "tied to" their rank-specific multipole centers. The positions of the multipo...

متن کامل

A New Guideline for the Allocation of Multipoles in the Multiple Multipole Method for Two Dimensional Scattering from Dielectrics

A new guideline for proper allocation of multipoles in the multiple multipole method (MMP) is proposed. In an ‘a posteriori’ approach, subspace fitting (SSF) is used to find the best location of multipole expansions for the two dimensional dielectric scattering problem. It is shown that the best location of multipole expansions (regarding their global approximating power) coincides with the med...

متن کامل

Boundary element solution of the linear Poisson-Boltzmann equation and a multipole method for the rapid calculation of forces on macromolecules in solution

The Poisson-Boltzmann equation is widely used to describe the electrostatic potential of molecules in an ionic solution that is treated as a continuous dielectric medium. The linearized form of this equation, applicable to many biologic macromolecules, may be solved using the boundary element method. A single-layer formulation of the boundary element method, which yields simpler integral equati...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2015