Finite-size effect at both high and low temperatures in molecular dynamics calculations of the self-diffusion coefficient and viscosity of liquid silica

doi:10.1088/0953-8984/16/50/003

	Finite-size effect at both high and low temperatures in molecular dynamics calculations of the self-diffusion coefficient and viscosity of liquid silica
	Zhang, YG ; Guo, GJ ; Refson, K ; Zhao, YJ
刊名	JOURNAL OF PHYSICS-CONDENSED MATTER
	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
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000226292800006
内容类型	期刊论文
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.