skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Oscillatory surface relaxations in Ni, Al, and their ordered alloys

Journal Article · · Phys. Rev. Lett.; (United States)

Results from simulations of Ni, Al, Ni/sub 3/Al, and NiAl show long-range, oscillatory surface relaxations that decay exponentially into the bulk. Pure fcc Ni and Al have oscillation periods that are close to the nearest-neighbor distance, independent of crystal face. This is shown to be due to surface smoothing and steric effects. In Ni/sub 3/Al and NiAl, the surface planes are rippled, with the Ni-Ni and Al-Al interlayer spacings oscillating 180/sup 0/ out of phase. Very good agreement between our results and experimentally measured atomic relaxations is obtained.

Research Organization:
Los Alamos National Laboratory, Los Alamos, New Mexico 87545
OSTI ID:
5230813
Journal Information:
Phys. Rev. Lett.; (United States), Vol. 57:11
Country of Publication:
United States
Language:
English