Abstract
A method for accelerating molecular-dynamics simulations of infrequent events was discussed. It is found that the boost potential was an empirical function determined by the deviation of the bond lengths of a specified set of atoms from equilibrium. It is observed that application of method to the diffusion of Cu atoms on the Cu surface using an embedded-atom potential yields correct rate for adatom hopping.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 6210-6216 |
| Number of pages | 7 |
| Journal | Journal of Chemical Physics |
| Volume | 119 |
| Issue number | 12 |
| DOIs | |
| State | Published - Sep 22 2003 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry