DOI: 10.1142/s0218625x99000640. REALISTIC SIMULATIONS OF Au(100): GRAND CANONICAL MONTE CARLO AND MOLECULAR DYNAMICS

REALISTIC SIMULATIONS OF Au(100): GRAND CANONICAL MONTE CARLO AND MOLECULAR DYNAMICS

10.1142/s0218625x99000640

Crossref journal-article

World Scientific Pub Co Pte Lt

Surface Review and Letters (219)

Abstract

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 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.

Bibliography

PASSERONE, D., ERCOLESSI, F., CELESTINI, F., & TOSATTI, E. (1999). REALISTIC SIMULATIONS OF Au(100): GRAND CANONICAL MONTE CARLO AND MOLECULAR DYNAMICS. Surface Review and Letters, 06(05), 663â668.

Authors 4

DANIELE PASSERONE (first)
FURIO ERCOLESSI (additional)
FRANCK CELESTINI (additional)
ERIO TOSATTI (additional)

References 8 Referenced 7

Dates

Type	When
Created	23 years, 1 month ago (July 27, 2002, 2:59 a.m.)
Deposited	6 years ago (Aug. 6, 2019, 5:54 p.m.)
Indexed	1 year, 6 months ago (Feb. 6, 2024, 4:05 p.m.)
Issued	25 years, 10 months ago (Oct. 1, 1999)
Published	25 years, 10 months ago (Oct. 1, 1999)
Published Online	13 years, 7 months ago (Jan. 25, 2012)
Published Print	25 years, 10 months ago (Oct. 1, 1999)

Funders 0

None

BibTeX

@article{PASSERONE_1999, title={REALISTIC SIMULATIONS OF Au(100): GRAND CANONICAL MONTE CARLO AND MOLECULAR DYNAMICS}, volume={06}, ISSN={1793-6667}, url={http://dx.doi.org/10.1142/s0218625x99000640}, DOI={10.1142/s0218625x99000640}, number={05}, journal={Surface Review and Letters}, publisher={World Scientific Pub Co Pte Lt}, author={PASSERONE, DANIELE and ERCOLESSI, FURIO and CELESTINI, FRANCK and TOSATTI, ERIO}, year={1999}, month=oct, pages={663–668} }

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