Calculation of Elastic Green's Functions for Lattices with Cavities

TL;DR

This paper introduces an efficient algorithm for computing elastic Green's functions in lattices with cavities, enabling analysis of defect-induced elastic properties with reduced computational complexity.

Contribution

The paper presents a novel, scalable algorithm for calculating elastic Green's functions in defective lattices, accommodating multi-atom force interactions.

Findings

Efficient computation of Green's functions for lattices with cavities.

Applicable to force fields with multi-atom interactions.

Reduces computational cost by focusing on defect subspace.

Abstract

In this Brief Report, we present an algorithm for calculating the elastic Lattice Greens Function of a regular lattice, in which defects are created by removing lattice points. The method is computationally efficient, since the required matrix operations are on matrices that scale with the size of the defect subspace, and not with the size of the full lattice. This method allows the treatment of force fields with multi-atom interactions.