Finite-size effect at both high and low temperatures in molecular dynamics calculations of the self-diffusion coefficient and viscosity of liquid silica
文献类型：期刊论文
| 作者 | Zhang, YG; Guo, GJ; Refson, K; Zhao, YJ |
| 刊名 | JOURNAL OF PHYSICS-CONDENSED MATTER
 |
| 出版日期 | 2004-12-22 |
| 卷号 | 16期号:50页码:9127-9135 |
| ISSN号 | 0953-8984 |
| DOI | 10.1088/0953-8984/16/50/003 |
| 文献子类 | Article |
| 英文摘要 | Molecular dynamics simulations are performed at 6543 and 3310 K to investigate how the viscosity and self-diffusion coefficient scale with system size in the liquid BKS silica system. We find that at high temperature the finite-size effect on shear viscosity is negligible. However, the size effect on the diffusion coefficient still exists and scales linearly with 1/N-1/3, where N is the total number of particles in the system. At low temperature, the size effect on the viscosity becomes stronger than that on diffusion, and the logarithm of the viscosity and the diffusion coefficient scale linearly with 1/N. These results are consistent with previous theoretical developments, and demonstrate that the finite-size effect should be considered in both high- and low-temperature molecular dynamics simulations of liquid silica. |
| WOS关键词 | SUPERCOOLED LIQUIDS ; ENERGY LANDSCAPE ; WATER ; SIMULATION |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000226292800006 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://ir.iggcas.ac.cn/handle/132A11/79405]  |
| 专题 | 中国科学院地质与地球物理研究所 |
| 通讯作者 | Zhang, YG |
| 作者单位 | 1.Chinese Acad Sci, Inst Geol & Geophys, Beijing 100029, Peoples R China 2.Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England |
| 推荐引用方式 GB/T 7714 | Zhang, YG,Guo, GJ,Refson, K,et al. Finite-size effect at both high and low temperatures in molecular dynamics calculations of the self-diffusion coefficient and viscosity of liquid silica[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2004,16(50):9127-9135. |
| APA | Zhang, YG,Guo, GJ,Refson, K,&Zhao, YJ.(2004).Finite-size effect at both high and low temperatures in molecular dynamics calculations of the self-diffusion coefficient and viscosity of liquid silica.JOURNAL OF PHYSICS-CONDENSED MATTER,16(50),9127-9135. |
| MLA | Zhang, YG,et al."Finite-size effect at both high and low temperatures in molecular dynamics calculations of the self-diffusion coefficient and viscosity of liquid silica".JOURNAL OF PHYSICS-CONDENSED MATTER 16.50(2004):9127-9135. |
入库方式： OAI收割
来源：地质与地球物理研究所
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