| 查看: 600 | 回复: 4 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[交流]
【求助】50金紧急求助英译汉2小段【有效期至2009年2月22日22点】
|
|||
|
请不要用翻译软件简单翻译，谢谢！ In the proposed project, we will adopt a concurrent and seamless multiscale technique, which is conceptually similar to that developed by the present authors in Yeak et al. [102] to couple MD with semi-empirical tight binding. That approach will be adopted to couple MD and DFT. Here we describe three region types: the pure MD region, the DFT near region, and the DFT far region. As shown in Fig 3.5(a), the DFT domain comprises the near and far regions. The DFT far region, which is a relatively small sub-domain, is an overlap region used to achieve a seamless coupling between the MD and DFT regions. The MD method is applied to both the pure MD and DFT far regions. The resultant forces and velocities of the atoms in these two regions are determined by the MD method. The DFT method is applied to both the DFT near and far regions but only the forces and velocities of the atoms in the near region are determined by the DFT method. The average width of the far region is 2.6 Å. As shown in Fig 3.5(b), the periodic boundary condition (PBC) is adopted for near and far DFT regions by applying the supercell concept. Based on the supercell approach, the model is thus not affected by the PBC because the near region is non-PBC whereas the near and far regions as a whole are PBC-confined. For the DFT analysis of the DFT near and far regions, the forces acting on the atoms at the boundary of the DFT far region are derived from the MD analysis. |
回复此楼» 猜你喜欢
欢迎采矿、地质、岩土、计算机、人工智能等专业的同学报考
已经有5人回复
-
279求调剂
已经有4人回复
-
284求调剂
已经有8人回复
-
材料复试调剂
已经有4人回复
-
本子写完了，给DS兄弟看了，得了92分
已经有7人回复
-
求调剂
已经有6人回复
-
材料学硕318求调剂
已经有13人回复
-
一志愿郑大材料学硕298分，求调剂
已经有5人回复
-
材料化工调剂
已经有13人回复
-
材料学硕318求调剂
已经有5人回复
★ ★
168yjh(金币+2,VIP+0):因为我已多次发消息给你，你也没有回应，也没帮我继续翻译下去，我没法采用你提供的翻译，只能意思一下了，以资鼓励。 2-24 12:34
168yjh(金币+2,VIP+0):因为我已多次发消息给你，你也没有回应，也没帮我继续翻译下去，我没法采用你提供的翻译，只能意思一下了，以资鼓励。 2-24 12:34
|
本帖内容被屏蔽 |
4楼2009-02-22 15:57:19
2楼2009-02-22 12:01:49
★ ★ ★ ★ ★
168yjh(金币+5,VIP+0):请继续完成 2-22 15:20
168yjh(金币+5,VIP+0):请继续完成 2-22 15:20
|
本帖内容被屏蔽 |
3楼2009-02-22 13:22:48
至楼上的朋友
telomerase(金币+0,VIP+0):可以直接给应助者发消息，那样方便快捷！！ 另还要继续求助吗？ 2-25 19:56
|
楼上的朋友，请注意给您发的消息或下面内容提示： MD和DFT的英文全称：Molecular dynamics （MD）Density functional theory (DFT) 带图示文章请点击下面网址下载查看 http://g.zhubajie.com/urllink.php?id=4088720w44b433c125w2nrl |
5楼2009-02-22 19:33:04
