| 查看: 308 | 回复: 4 | |||
| 当前主题已经存档。 | |||
[交流]
【求助】20金币求助“镍的下面能量参数”哪位大侠帮我看看！
|
|||
|
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 ] |
回复此楼» 猜你喜欢
求助火焰封管的时候管子炸了
已经有1人回复
-
请问四氢呋喃溶解的聚合物用甲醇沉淀时，如何使沉淀过程加速？
已经有2人回复
-
物理化学论文润色/翻译怎么收费?
已经有78人回复
-
七嗪类物质合成求助
已经有0人回复
-
Chemical Bonding at Surfaces and Interfaces,最经典的一本表面上化学相互作用教材
已经有0人回复
-
诚邀有志之士加入江苏大学环境学院合成生物学课题组！(长期接收学硕专硕、硕博连读)
已经有16人回复
-
一志愿南大理论与计算化学方向（070300）342分，求调剂
已经有1人回复
-
欢迎化学、化工、物理、材料、或计算机背景的考研咨询
已经有0人回复
-
调剂招生
已经有7人回复
-
河南理工大学化工学院招收调剂生啦！
已经有1人回复
» 本主题相关商家推荐: (我也要在这里推广)
2楼2008-11-12 23:17:08
3楼2008-11-13 18:56:21
4楼2008-11-13 22:24:45
5楼2008-11-14 11:27:25
