6533b852fe1ef96bd12ab6fc
RESEARCH PRODUCT
Roughening of the Cu(110) surface
Hannu HäkkinenJussi TimonenJuha MerikoskiKimmo KaskiKimmo KaskiM. Manninensubject
Surface (mathematics)Materials scienceCondensed Matter (cond-mat)Monte Carlo methodFOS: Physical sciencesGeneral Physics and Astronomychemistry.chemical_elementCondensed Matter02 engineering and technology01 natural sciencesInterpretation (model theory)Molecular dynamicsTransition metalPhase (matter)Vacancy defect0103 physical sciencesAnisotropy010306 general physicsPhysicsCondensed matter physicsOrder (ring theory)021001 nanoscience & nanotechnologyCopperSmooth surfaceCorrelation function (statistical mechanics)chemistry0210 nano-technologydescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1993-04-19 | Physical Review Letters |