Realistic grand canonical Monte Carlo surface simulation: application to Ar(111)
@article{Celestini1998RealisticGC, title={Realistic grand canonical Monte Carlo surface simulation: application to Ar(111)}, author={Franck Celestini and Daniele Passerone and Furio Ercolessi and Erio Tosatti}, journal={Surface Science}, year={1998}, volume={402}, pages={886-890} }
3 Citations
Realistic simulations of Au(100): Grand Canonical Monte Carlo and Molecular Dynamics
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The 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…
Structural transitions in the 309-atom magic number Lennard-Jones cluster.
- PhysicsThe Journal of chemical physics
- 2006
The thermal behavior of the 309-atom Lennard-Jones cluster, whose structure is a complete Mackay icosahedron, has been studied by parallel tempering Monte Carlo simulations and shows a very pronounced peak before melting, which is attributed to several coincident structural transformation processes.
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