Related Experiment Video
Updated: Aug 9, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Multiparadigm modeling of dynamical crack propagation in silicon using a reactive force field
Markus J Buehler1, Adri C T van Duin, William A Goddard
1Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1-272, Cambridge, Massachusetts 02139, USA.
Abstract:
We report a study of dynamic cracking in a silicon single crystal in which the ReaxFF reactive force field is used for several thousand atoms near the crack tip, while more than 100,000 atoms are described with a nonreactive force field. ReaxFF is completely derived from quantum mechanical calculations of simple silicon systems without any empirical parameters. Our results reproduce experimental observations of fracture in silicon including changes in crack dynamics for different crack orientations.
Related Concept Videos
Three-Dimensional Force System
Three-Dimensional Force System:Problem Solving
To solve a three-dimensional force system, first resolve each force into its respective scalar components. Do this using...
Two-Dimensional Force System
Two-Dimensional Force System: Problem Solving
The first step to solving a two-dimensional force system problem is to draw a free-body diagram of the object under consideration. This diagram helps identify all the external forces acting on the object, including their...
Static and Kinetic Frictional Force
However, if two systems are in contact and are stationary relative to one...
Elastic Strain Energy for Shearing Stresses
