Atomistic Simulations of Surface Relaxations in Ni, Al, and Their Ordered Alloys
ABSTRACTWe have performed a series of simulations to examine the atomistic nature of surface relaxations in pure metals and ordered alloys. The surface relaxations (∆dn, n+1) are shown to be oscillatory and to decay rapidly into the bulk. The period and form of the oscillation may be determined by simple geometrical arguments. The oscillation wavelength is always of the order of an atomic diameter. In pure metals, the surface layer of atoms always displaces inward. However, in the ordered alloys the larger atom may displace outward. On planes composed of more than one atom types, rippling occurs.
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2001 ◽
Vol 66
(11-12)
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pp. 899-912
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1983 ◽
Vol 41
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pp. 218-219
1983 ◽
Vol 41
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pp. 738-739
1970 ◽
Vol 28
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pp. 478-479
1988 ◽
Vol 46
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pp. 546-547
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1968 ◽
Vol 26
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pp. 284-285