Please use this identifier to cite or link to this item:
|Title:||Molecular-dynamics study of surface relaxation, stress, and disordering of Pb(110)|
|Citation:||Toh, C.P., Ong, C.K., Ercolessi, F. (1994). Molecular-dynamics study of surface relaxation, stress, and disordering of Pb(110). Physical Review B 50 (23) : 17507-17517. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.50.17507|
|Abstract:||Using an empirical many-body Hamiltonian fitted to bulk and surface properties of lead, we have studied the temperature-dependent structural transformations on Pb(110) by molecular-dynamics simulation. The surface is observed to undergo an anomalous thermal expansion prior to disordering at T∼500 K, in good agreement with recent ion-scattering and low-energy electron-diffraction studies. Behavior of the layer-resolved structure factors indicates that the disordering process is anisotropic and occurs in a layer-by-layer fashion. Simulation results are also consistent with experimental observations of surface roughening near 400 K as well as the formation of a quasiliquid surface phase above 500 K. The intrinsic stress anisotropy Δg, present on all fcc (110) surfaces, vanishes at T∼590 K, suggesting the possible existence of a liquid film at the surface. By examination of the structural-anisotropy data taken at various temperatures, we confirmed that complete melting of the surface layer is achieved at ∼590 K. © 1994 The American Physical Society.|
|Source Title:||Physical Review B|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Jul 14, 2018
WEB OF SCIENCETM
checked on Jun 19, 2018
checked on May 4, 2018
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.