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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

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Adaptive boundaryless finite-difference method.

Dorilian Lopez-Mago¹, Julio C Gutiérrez-Vega

¹Photonics and Mathematical Optics Group, Tecnológico de Monterrey, Monterrey 64849, Mexico. dorilian@itesm.mx

Journal of the Optical Society of America. A, Optics, Image Science, and Vision

|March 5, 2013

Summary

This summary is machine-generated.

This study introduces an adaptive boundaryless method for beam propagation, enhancing accuracy by concentrating sampling points. This novel approach overcomes frequency aliasing issues inherent in traditional methods.

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Area of Science:

Computational electromagnetics
Numerical methods for wave propagation

Background:

The boundaryless beam propagation method maps infinite space to a finite domain, preventing reflections.
However, it is limited by frequency aliasing, restricting the sampled physical region.

Purpose of the Study:

To develop an adaptive boundaryless method for beam propagation.
To improve accuracy and eliminate frequency aliasing issues.

Main Methods:

An adaptive sampling strategy concentrates points in regions of interest.
Implementation in both Cartesian and cylindrical coordinate systems.
Utilizes a mapping function to transform infinite real space into a finite computational domain.

Main Results:

The adaptive method maintains the advantages of the original boundaryless approach.
Achieves higher accuracy compared to the standard method.
Successfully avoids frequency aliasing problems.

Conclusions:

The adaptive boundaryless method offers a more accurate and versatile solution for beam propagation simulations.
This technique expands the applicability of boundaryless methods by overcoming aliasing limitations.