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• W2048687559 abstract "The results of a theoretical study on the stability of fcc (1 1 1) metal surfaces to certain commensurate–incommensurate reconstructive phase transformations is presented. Specifically, we have performed computer simulation studies of the 22×√3 surface reconstruction of Au(1 1 1). This reconstruction involves a uniaxial contraction of the top monolayer corresponding to a surface strain of about 4.3% and has been observed to be the stable structure for the clean surface at low temperatures. The driving force for the reconstruction has been associated with the quantity (f−γ), where f is the surface stress and γ is the surface free energy, while the opposing force is due to the disregistry with the underlying lattice. A continuum model yields a stability criterion that depends on the knowledge of a small number of physical quantities: f, γ, the equilibrium nearest-neighbor spacing r1 and the shear modulus G. We have performed molecular dynamics simulations as a general stability analysis of these types of reconstructions. The results are in excellent agreement with the continuum model. The simulations using embedded-atom method potentials also accurately reproduce many observed features of the reconstruction on Au(1 1 1)." @default.
• W2048687559 created "2016-06-24" @default.
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• W2048687559 date "2003-05-01" @default.
• W2048687559 modified "2023-10-11" @default.
• W2048687559 title "The stability of fcc (111) metal surfaces" @default.
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• W2048687559 doi "https://doi.org/10.1016/s0039-6028(03)00484-9" @default.
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