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.
部门归属
hunan normal univ, dept phys, changsha 410081, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china.;chen, y (reprint author), hunan normal univ, dept phys, changsha 410081, peoples r china;liaosz@hunnu.edu.cn
Y. Chen,S. Liao. Monte Carlo simulation of the surface segregation of Au75Pd25 at (110) surface using an analytic embedded atom method[J]. Surface Review and Letters,2007,14(3):411-417.
APA
Y. Chen,&S. Liao.(2007).Monte Carlo simulation of the surface segregation of Au75Pd25 at (110) surface using an analytic embedded atom method.Surface Review and Letters,14(3),411-417.
MLA
Y. Chen,et al."Monte Carlo simulation of the surface segregation of Au75Pd25 at (110) surface using an analytic embedded atom method".Surface Review and Letters 14.3(2007):411-417.
修改评论