MONTE CARLO SIMULATION OF THE SURFACE SEGREGATION OF Au75Pd25 AT (110) SURFACE USING AN ANALYTIC EMBEDDED ATOM METHOD
The surface concentrations and concentration depth profiles to the (110) surface of an Au75Pd25 alloy is studied by modified analytical embedded atom method (MAEAM) with the Monte Carlo simulations. The results indicate that Au enriched in the two topmost layers, but depleted in the third layer. The Au concentration in the non-reconstructed surface is less than that in the reconstructed surface. Au concentration 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 of AuPd alloys.
Surface segregation, Monte Carlo simulations, PdâAu alloys, embedded atom method
In order to set up a list of libraries that you have access to,
you must first login
or sign up.
Then set up a personal list of libraries from your profile page by
clicking on your user name at the top right of any screen.