3D Simulation of Cracks and Fractures in a Molecular Solid Under Stress and Compression

Authors

Mark Korlie, Montclair State UniversityFollow

Document Type

Article

Publication Date

9-1-2007

Journal / Book Title

Computers & Mathematics with Applications

Abstract

Using molecular mechanics, we study the evolution and propagation of cracks and fractures in a three-dimensional molecular sheet of ice under stress and compression. We use an approximate 6-12 Lennard-Jones potential for a pair of ice molecules to derive dynamical equations for the ice molecules in the solid. The resulting systems of nonlinear ordinary differential equations are then used to simulate the evolution and propagation of cracks and fractures in the solid. In the computer examples, we compare dynamical responses when the solid sheet of ice has a slot or does not have a slot. The mechanisms for development of both cracks and fractures are presented and discussed. In addition, the buckling effect is seen clearly in the results.

Comments

This article is Open Access under an Elsevier User License.

DOI

10.1016/j.camwa.2005.09.008

MSU Digital Commons Citation

Korlie, Mark, "3D Simulation of Cracks and Fractures in a Molecular Solid Under Stress and Compression" (2007). Department of Mathematics Facuty Scholarship and Creative Works. 30.
https://digitalcommons.montclair.edu/mathsci-facpubs/30

Published Citation

Korlie, M. S. (2007). 3D simulation of cracks and fractures in a molecular solid under stress and compression. Computers & Mathematics with Applications, 54(5), 638-650.