扩散
蒙特卡罗方法
相(物质)
图层(电子)
材料科学
结晶学
作文(语言)
化学
凝聚态物理
热力学
物理
纳米技术
统计
数学
有机化学
语言学
哲学
作者
Takao Morimura,Masayuki Hasaka,Atsushi Nagata
标识
DOI:10.1016/s0925-8388(02)00769-7
摘要
EDX-TEM technique, IKL-ALCHEMI and Monte Carlo simulation were employed to reveal the relation between diffusion composition path and the ordered structures in Cu3Au/Pd diffusion couple annealed at 573 K. A Cu3Au layer including Pd, a CuAu layer including Pd, a CuPd layer and a Pd layer including Cu existed in sequence between Cu3Au and Pd. The Au concentration increased by up-hill diffusion from the Cu3Au layer to the CuAu layer, whereas Au scarcely diffused from the CuAu into the CuPd layer. The diffusion composition path deviated from the Cu3Au–Pd line in the Cu–Au–Pd Gibbs triangle and exhibited an ‘S-shaped’ curve through the CuAu and CuPd existence regions. The atomic configurations in the L10-type phase were highly ordered and consistent with the equilibrium state. In the Monte Carlo simulation, diffusion couples were virtually produced. The diffusion composition paths, Fourier power spectra and Warren-Cowley parameters were estimated in this way. The strong ordering interactions of the Cu–Au pair and Cu–Pd pair in the first nearest neighbor and the high activation barrier for migration of Au reproduced experimental results.
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