MONTE CARLO SIMULATION OF THE SURFACE SEGREGATION OFAu75Pd25AT (110) SURFACE USING AN ANALYTIC EMBEDDED ATOM METHOD

Yu Chen and Shuzhi Liao ()
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Yu Chen: Department of Physics, Hunan Normal University, Changsha 410081, P. R. China
Shuzhi Liao: International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang 110015, P. R. China

Surface Review and Letters (SRL), 2007, vol. 14, issue 03, 411-417

Abstract: The surface concentrations and concentration depth profiles to the (110) surface of anAu75Pd25alloy is studied by modified analytical embedded atom method (MAEAM) with the Monte Carlo simulations. The results indicate thatAuenriched in the two topmost layers, but depleted in the third layer. TheAuconcentration in the non-reconstructed surface is less than that in the reconstructed surface.Auconcentration in third layer of reconstructed surface, which is more agreement with experimental data in present simulations, is about 63% 61% and 55%, at 800K, 600K and 400K respectively. Thus the present simulations are helpful for a better understanding of surface segregation ofAuPdalloys.

Keywords: Surface segregation; Monte Carlo simulations; Pd–Aualloys; embedded atom method (search for similar items in EconPapers)
Date: 2007
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DOI: 10.1142/S0218625X07009670

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