中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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)

文献类型:期刊论文

作者Zhang Ran1,2; He Jun1,2; Peng Zeng-Hui1; Xuan Li1
刊名Acta physica sinica
出版日期2009-08-01
卷号58期号:8页码:5560-5566
关键词Rotational viscosity Odd-even effect Molecular dynamics simulation Nematic liquid crystal
ISSN号1000-3290
通讯作者Xuan li(arandy@tom.com)
英文摘要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.
WOS关键词SHEAR-FLOW ; PHASES ; FIELD ; RELAXATION ; POTENTIALS ; PROGRESS
WOS研究方向Physics
WOS类目Physics, Multidisciplinary
语种英语
WOS记录号WOS:000269228600066
出版者CHINESE PHYSICAL SOC
URI标识http://www.irgrid.ac.cn/handle/1471x/2404590
专题中国科学院大学
通讯作者Xuan Li
作者单位1.Chinese Acad Sci, Changchun Inst Opt Fine Mech & Phys, Changchun 130033, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100039, Peoples R China
推荐引用方式
GB/T 7714
Zhang Ran,He Jun,Peng Zeng-Hui,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 Ran,He Jun,Peng Zeng-Hui,&Xuan Li.(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 Ran,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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来源:中国科学院大学

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