1,720,979 research outputs found
Realistic simulations of Au(100): Grand canonical Monte Carlo and molecular dynamics
No full textThe large surface density changes associated with the (100) noble metals surface hex-reconstruction suggest the use of nonparticle-conserving simulation methods. We present an example of a surface Grand Canonical Monte Carlo applied to the transformation of a square nonreconstructed surface to the hexagonally covered low temperature stable Au(100). On the other hand, classical Molecular Dynamics allows one to investigate microscopic details of the reconstruction dynamics, and we show, as an example, retraction of a step and its interplay with the surface reconstruction/deconstruction mechanism
Reentrant layering in rare gas adsorption: preroughening or premelting?
No full textAccepted for publication in Phys. Rev. LettersConsiglio Nazionale delle Ricerche - Biblioteca Centrale - P.le Aldo Moro, 7 Rome / CNR - Consiglio Nazionale delle RichercheSIGLEITItal
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