| 表面扩散的Monte Carlo初探 |
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| 引用本文： | 郭向云,钟炳,彭少逸.表面扩散的Monte Carlo初探[J].分子催化,1996(1). |
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| 作者姓名： | 郭向云 钟炳 彭少逸 |
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| 作者单位： | 中国科学院山西煤炭化学研究所 |
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| 摘 要： | 利用ＭｏｎｔｅＣａｒｌｏ方法模拟了理想表面和分形表面上的扩散过程；通过模拟可以发现，表面扩散系数不仅与表面浓度有关，而且还与扩散的时间、表面的几何形貌等有关。在表面覆盖度比较高时，表面扩散系数有一极大值。与理想表面相比，分形表面会使扩散系数减小。
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| 关 键 词： | Monte Carlo，模拟，表面扩散，覆盖度，分形 |
Monte Carlo Simulations of Surface Diffusion |
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| Guo Xiangyun,Zhong Bing,Peng Shaoyi.Monte Carlo Simulations of Surface Diffusion[J].Journal of Molecular Catalysis (China),1996(1). |
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| Authors: | Guo Xiangyun Zhong Bing Peng Shaoyi |
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| Abstract: | The Monte Carlo method based on random walk was used to simulate surface diffusion processes on an ideal surface and a DLA fractal.By the simulations,it is found that the surface diffusivity is related not only to the surface coverage but also to the observation time and the surface geometry.There is a maximum of the surface diffusivity in high surface coverage.The fractal surface can reduce the surface diffusivity in comparison with the ideal surface. |
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| Keywords: | Monte carlo simulation Surface diffusion Coverage Fractal |
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