Surface Energy and Surface Proton Order of Ice Ih
文献类型：期刊论文
| 作者 | Pan, D ; Liu, LM ; Tribello, GA ; Slater, B ; Michaelides, A ; Wang, E |
| 刊名 | PHYSICAL REVIEW LETTERS
 |
| 出版日期 | 2008 |
| 卷号 | 101期号:15 |
| 关键词 | HEXAGONAL ICE SIMULATION HYDROGEN WATER |
| ISSN号 | 0031-9007 |
| 通讯作者 | Pan, D (reprint author), Chinese Acad Sci, Inst Phys, POB 603, Beijing 100190, Peoples R China. |
| 中文摘要 | Ice Ih is comprised of orientationally disordered water molecules giving rise to positional disorder of the hydrogen atoms in the hydrogen bonded network of the lattice. Here we arrive at a first principles determination of the surface energy of ice Ih and suggest that the surface of ice is significantly more proton ordered than the bulk. We predict that the proton order-disorder transition, which occurs in the bulk at similar to 72 K, will not occur at the surface at any temperature below surface melting. An order parameter which defines the surface energy of ice Ih surfaces is also identified. |
| 收录类别 | SCI |
| 资助信息 | NSFC; Alexander von Humboldt research; EURYI scheme; EPSRC; London Centre for Nanotechnology |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/54165]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Pan, D,Liu, LM,Tribello, GA,et al. Surface Energy and Surface Proton Order of Ice Ih[J]. PHYSICAL REVIEW LETTERS,2008,101(15). |
| APA | Pan, D,Liu, LM,Tribello, GA,Slater, B,Michaelides, A,&Wang, E.(2008).Surface Energy and Surface Proton Order of Ice Ih.PHYSICAL REVIEW LETTERS,101(15). |
| MLA | Pan, D,et al."Surface Energy and Surface Proton Order of Ice Ih".PHYSICAL REVIEW LETTERS 101.15(2008). |
入库方式： OAI收割
来源：物理研究所
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