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【求助】20金币求助“镍的下面能量参数”哪位大侠帮我看看！
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下面是我要后面计算用的一些参数，哪位大侠可以帮我算一下，然后告诉我方法，因为我还要算别的材料，呵呵或者帮我把铁和钴的也算出来，把算的方法简单告诉我，因为我要写论文！呵呵20金币答谢！ 'adatom_prefactor' to 'ledge_prefactor' are used for calculating adatom diffusion rate. You should change them if you simulate other materials, you can get the value from literature. It is related to vibration frequency. 'width' and 'length' set the simulation scale. Both width and length are integers, which indicate how many atoms are in X and Y dimension respectively. For example, here 'width=50' and 'length=50' mean that there are 2500 atoms in each layer. Don’t make these two parameters too large. Typically set them less than 1000, otherwise the simulation takes too long, contact the authors if you want to simulate very large system. 'facet' is a control variable, facet='none' indicates your simulation does not include inter-facet diffusion. facet='111' indicates your simulation is calculating the relative flux from {100} facets to adjacent {111} facets. facet='110' indicates your simulation is calculating the relative flux from {100} facets to adjacent {110} facets. [ Last edited by zenglingjun123 on 2008-11-12 at 14:59 ] |
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