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EnglishWe study the phase separation that a particle-conserving (“canonical”) full-layered metal surface must undergo at temperatures between preroughening and roughening. The separation is into two disordered flat (DOF) domains of opposite order parameter with a step between them, each domain exhibiting a half-filled top layer. It is shown that both Gibbs-ensemble simulation and canonical Monte Carlo plus finite-size scaling, carried out on a specific lattice Hamiltonian model, demonstrate this phase-separation phenomenon microscopically. A number of existing particle-conserving molecular-dynamics simulations for fcc(110) metal surfaces are then analyzed, and it is found that some display clear, previously unnoticed evidence of this DOF phase separation. Its main signal is a plateau of layer occupancies with temperature, around values close to 3/4 for the first surface layer, and around 1/4 for the adatom layer. It is proposed that this unusual type of phase separation could be observable on sufficiently step-free metal surfaces.
| Titolo: | Preroughening, fractional-layer occupancies, and phase separation at a disordered flat metal surface |
| Autori: | |
| Data di pubblicazione: | 1998 |
| Rivista: | |
| Abstract: | We study the phase separation that a particle-conserving (“canonical”) full-layered metal surface must undergo at temperatures between preroughening and roughening. The separation is into two disordered flat (DOF) domains of opposite order parameter with a step between them, each domain exhibiting a half-filled top layer. It is shown that both Gibbs-ensemble simulation and canonical Monte Carlo plus finite-size scaling, carried out on a specific lattice Hamiltonian model, demonstrate this phase-separation phenomenon microscopically. A number of existing particle-conserving molecular-dynamics simulations for fcc(110) metal surfaces are then analyzed, and it is found that some display clear, previously unnoticed evidence of this DOF phase separation. Its main signal is a plateau of layer occupancies with temperature, around values close to 3/4 for the first surface layer, and around 1/4 for the adatom layer. It is proposed that this unusual type of phase separation could be observable on sufficiently step-free metal surfaces. |
| Handle: | http://hdl.handle.net/11570/9404 |
| Appare nelle tipologie: | 14.a.1 Articolo su rivista |
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