Green's function molecular dynamics: Including finite heights, shear, and body fields

Parayil Venugopalan, S.; Nicola, L.; Müser, Martin H.

doi:10.1088/1361-651X/aa606b

Green's function molecular dynamics

Title

Green's function molecular dynamics: Including finite heights, shear, and body fields

Author

Parayil Venugopalan, S. (TU Delft (OLD) MSE-7)
Nicola, L. (TU Delft (OLD) MSE-7)
Müser, Martin H. (Saarland University)

Date

2017

Abstract

The Green's function molecular dynamics (GFMD) method for the simulation of incompressible solids under normal loading is extended in several ways: shear is added to the GFMD continuum formulation and Poisson numbers as well as the heights of the deformed body can now be chosen at will. In addition, we give the full stress tensor inside the deformed body. We validate our generalizations by comparing our analytical and GFMD results to calculations based on the finite-element method (FEM) and full molecular dynamics simulations. For the investigated systems we observe a significant speed-up of GFMD compared to FEM. While calculation and proof of concept were conducted in two-dimensions only, the methodology can be extended to the three-dimensional case in a straightforward fashion.

Subject

contact mechanics
Green's function
tribology

To reference this document use:

http://resolver.tudelft.nl/uuid:8d6453ee-8629-439a-bb95-f0cc19e0587e

DOI

https://doi.org/10.1088/1361-651X/aa606b

ISSN

0965-0393

Source

Modelling and Simulation in Materials Science and Engineering, 25 (3), 1-13

Part of collection

Institutional Repository