Volume 1, Number 2 (4-1997)                   IJPR 1997, 1(2): 86-93 | Back to browse issues page

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G. A. Parsafar, K. K. Darani. Monte Carlo Simulation of the (100) Surface of the fcc Lattice of Platinum and Gold. IJPR. 1997; 1 (2) :86-93
URL: http://ijpr.iut.ac.ir/article-1-314-en.html

Abstract:   (12786 Views)

  In this work, the (100) surface of Au and Pts face centered cubic lattice, has been simulated in Monte-Carlo method, using a 486-DX2 computer. The potential equation that was used for the interaction among atoms in the metal surfaces is called Sutton and Chen potential. This potential is introduced for the interaction of floating nuclei in the electron sea, and attractive term is a many body potential.

  Surface atoms are allowed to move to their adjacent unoccupied sites. These movements occur when temperature increases by which surface configuration, coordination number and the solid surface will be changed. In primary movements, we have large flactuations for the energy, but when the number of movements become large enough (order of hunders of thouands), we may ignore the small energy flactuation and therefore stable configuration can obtained.

  In this calculation, we have taken into account the interaction between any particle with its first and second neighbouring atoms. Probability of acceptance of any movement is equal to the Boltzman factor. Finally, an equation, that is temperature dependency of surface magnitude, was abtained.

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Type of Study: Research | Subject: general

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