Optimizing Computational Electromagnetic Models of Nanoparticles Using Finite Element Method

Optimizing computational models can greatly improve solution runtime, saving valuable time and resources. This work explores how various parameters can affect the simulation time of gold nanoparticle electromagnetic simulations using COMSOL. To reduce complexity, computational models of nanoparticles can be simplified by using periodic and mirror boundary conditions, reducing the simulation space and the number of points needed to solve the model. Finite Element Method (FEM) simulates the shape of a model with discrete steps called mesh elements. The calculations for the model are done at the intersection of the mesh elements. Increasing the size of a mesh element decreases the number of calculations done and the simulation runtime; however, this can compromise the model's accuracy. Because boundary conditions are used, additional nanoparticles can be simulated too close together; therefore, optimizing spacing is essential to reduce particle-particle interactions. Our findings report how these parameters can be adjusted to reduce computational runtime, while still creating an accurate model. We found the maximum mesh element size should be approximately half the geometry size. The simulation space should be at least 30 nanometers plus the width of the nanoparticle.