Abstract
The multilayer relaxation at (100), (110), (111), (210), (211), (310), (311) and (331) surfaces of the fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al and Pb are calculated using the modified embedded atom method. The `anomalous' outward relaxation at Al (100), (111), Pt (111), and Cu (111) surfaces is described correctly. The relief of surface stress and tension on the relaxation is studied on (111), (100) and (110) surfaces. In general, the surface stress in the direction of the surface normal determines the relaxation direction except for the Al (110) surface. When the surface stress is negative, the surface relaxation is inward; otherwise, the relaxation is outward. An interesting result is that the surface tension does not always decrease after relaxation. The outward relaxation will induce the increase in surface tension while the inward relaxation induces the decrease in surface tension.
Original language | English (US) |
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Pages (from-to) | 189-206 |
Number of pages | 18 |
Journal | Modelling and Simulation in Materials Science and Engineering |
Volume | 7 |
Issue number | 2 |
DOIs | |
State | Published - Mar 1999 |
Externally published | Yes |
ASJC Scopus subject areas
- Modeling and Simulation
- General Materials Science
- Condensed Matter Physics
- Mechanics of Materials
- Computer Science Applications