Understanding Scaling Relations in Fracture and Mechanical Deformation of Single Crystal and Polycrystalline Silicon by Performing Atomistic Simulations at Mesoscale
Abstract
There is are limitations to molecular dynamics (MD) simulations, as reflected by the discrepancies between simulations and experimental results. This briefing seeks to reduce those discrepancies through increasing the length and time scale of the MD simulations. It is found that the surface to volume ration is the most important factor at the nanometer and micron scale. MD simulation results are more close to experiments if actual specimen dimensions are use.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jul 16, 2009
- Accession Number
- ADA506038
Entities
People
- Han S. Kim
- Vikas Tomar
Organizations
- University of Notre Dame