| Coarse-Graining of Interatomic Potentials |
Coarse-grained (CG) interatomic potentials are developed based on the embedded atom method (EAM) potentials. The CG-EAM potentials reproduced the thermodynamic behavior of the metals as predicted by the EAM potentials [Phys. Rev. Lett. (in preparation for submission)]
| Spall Behavior of Al/Si Nanocrystalline Composites |
Large-scale MD simulations are used to investigate the micromechanisms related to spallation in nanocrystalline Al/Si composites [J. Appl. Phys. (in preparation for submission)]
| A-EAM Potential for Al/Si Systems |
The Angular-dependent Embedded Atom Method (A-EAM) potential is extended to model the thermodynamic and mechanical behavior of Al/Si systems. [Model. Simul. Mater. Sci. (in review) ]
| Spall Behavior of Nanocrystalline Cu |
Large-scale MD simulations are used to investigate the micromechanisms related to spallation in nanocrystalline Cu [J. Appl. Phys. (2010)]
| Spall Behavior of Cu[001] |
Large-scale MD simulations are used to investigate the micromechanisms related to spallation in single crystal Cu [Procedia Eng. (2011)]
| Dynamic Failure of Nanocrystalline Cu |
Large scale molecular dynamics simulations are aimed at understanding the micromechanisms of nucleation, coalescence, and growth of voids in nanocrystalline metals (Cu, Al). [Phys Rev B (2009); CMC (2011)]
| Plastic Yield Criterion for Nanocrystalline Cu at High Strain Rates |
Large-scale molecular dynamics (MD) simulations are used to understand the tension-compression strength asymmetry [Comp. Mat. Sci. (2010)] and the macroscopic yield behavior [Metall. Mater. Trans. A (2009)] of nanocrystalline Cu with an average grain size of 6 nm at high strain rates.
| A-EAM potential for Au/Si |
A new Angular-dependent Embedded Atom Method (A-EAM) potential is developed for the description of interatomic interactions in metal-covalent systems by combining the EAM potentials with the Stillinger – Weber (SW) potential for silicon/germanium as well as the Tersoff potential for Si/Ge/C/SiC in a compatible functional form. [Phys. Rev B (2009); Composites - Part B Eng. (2009)]
