Roughening of the Cu(110) Surface

Details Roughening of the Cu(110) Surface Roughening of the Cu(110) Surface

1994-02-17

arxiv.org/abs/cond-mat/9402067v1

Physics

Condensed Matter

24 pages (12 figs available upon request), REVTEX, to be published in PRB, JYFL Preprint 16/93

Scientific paper

10.1103/PhysRevB.49.4938

The structure of the Cu(110) surface is studied at high temperatures using a combination of lattice-gas Monte Carlo and molecular dynamics methods with identical many-atom interactions derived from the effective medium theory. The anisotropic six-vertex model is used in the interpretation of the lattice-gas results. We find a clear roughening transition around T_R=1000K and T_R/T_M=0.81. Molecular dynamics reveals the clustering of surface defects as the atomistic mechanism of the transition and allows us to estimate characteristic time scales. For the system of size 50x50, the time scale of the local roughening at 1150 K of an initially smooth surface is of the order of 100 ps.

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