Molecular dynamics simulation of the rotational viscosity and its odd-even effect of nematic liquid crystals nCB(4-n-alkyl-4 '-cyanobiphenyls, n=5-8)

	Molecular dynamics simulation of the rotational viscosity and its odd-even effect of nematic liquid crystals nCB(4-n-alkyl-4 '-cyanobiphenyls, n=5-8)
其他题名	论文其他题名
	Zhang R.; He J.; Peng Z. H.; Xuan L.
	2009
发表期刊	Acta Physica Sinica
ISSN	1000-3290
卷号	58 期号:8 页码:5560-5566
摘要	Based on a full-atomic force field model, molecular dynamics (MD) studies of nCB serials (4-n-alkyl-4'-cyanobiphenyls, n = 5-8) were performed under the isothermal-isobaric NPT ensemble. The second and forth rank order parameters and the orientational. time correlation function(TCF) were obtained by analyzing the trajectory of MD simulation. Then the correlation time was obtained from the fitting of TCF by a single exponential approximation and the rotational diffusion coefficient (RDC) was computed. The rotational viscosity coefficients (RVC) of nCB(n = 5-8) were calculated by Nemtsov-Zakharov and Fialkowski equations, which are based on the statistical-mechanical approach. The odd-even effect of RVC, RDC and the correlation time were discussed separately. Reasonable agreement between the calculated results and the measured data published in literature is obtained, including identical odd-even effect.
收录类别	SCI
语种	中文
文献类型	期刊论文
条目标识符	http://ir.ciomp.ac.cn/handle/181722/25662
专题	中科院长春光机所知识产出
推荐引用方式 GB/T 7714	Zhang R.,He J.,Peng Z. H.,et al. Molecular dynamics simulation of the rotational viscosity and its odd-even effect of nematic liquid crystals nCB(4-n-alkyl-4 '-cyanobiphenyls, n=5-8)[J]. Acta Physica Sinica,2009,58(8):5560-5566.
APA	Zhang R.,He J.,Peng Z. H.,&Xuan L..(2009).Molecular dynamics simulation of the rotational viscosity and its odd-even effect of nematic liquid crystals nCB(4-n-alkyl-4 '-cyanobiphenyls, n=5-8).Acta Physica Sinica,58(8),5560-5566.
MLA	Zhang R.,et al."Molecular dynamics simulation of the rotational viscosity and its odd-even effect of nematic liquid crystals nCB(4-n-alkyl-4 '-cyanobiphenyls, n=5-8)".Acta Physica Sinica 58.8(2009):5560-5566.

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