摘要:
本文应用修正的Darken模型,结合考虑薄膜尺寸效应的约束条件,对PdSi、Pd2Si、Pd3Si、Pd9Si2、Pd5Si合金薄膜的平衡态及动态表面偏析进行了模拟计算,其中,偏析参数,即偏析能ΔG和相互作用系数Ω,分别由Miedema模型和相图计算方法获得。结果表明:尺寸效应对Pd-Si合金薄膜体系偏析的影响不是很明显。
Abstract:
In this paper, equilibrium and kinetic surface segregation in Pd-Si alloy thin films are simulated by applying the modified Darken model under a constrained condition for taking into account the size effect. The corresponding segregation parameters, i.e. segregation energy and interaction parame-ter, are obtained by the Miedema model and the CALPHAD (Calculation of Phase Diagrams) method. The simulated results indicate that the size effect in the Pd-Si alloy thin film is not pronounced.