Rotational viscosity calculation method for liquid crystal mixture using molecular dynamics

J. S. Kim; M. Jamil; J. E. Jung; J. E. Jang; J. W. Lee; F. Ahmad; M. K. Woo; J. Y. Kwak; Y. J. Jeon

doi:10.1080/15980316.2011.593903

Rotational viscosity calculation method for liquid crystal mixture using molecular dynamics

J. S. Kim
, M. Jamil
, J. E. Jung
, J. E. Jang
, J. W. Lee
, F. Ahmad
, M. K. Woo
, J. Y. Kwak
, Y. J. Jeon

Department of Electrical Engineering and Computer Science

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

This paper presents the directly obtained rotational viscosity values of E7, which includes pentylcyanobiphenol, heptylcyanobiphenol, 4-cyano-4′ -n-octyloxy-1,1′ -biphenyl, and 4-cyano-4 ^″-n-pentyl-1,1′,1 ^″-terphenyl, at various temperatures using molecular dynamics computer simulation. The director mean squared displacement was achieved from the squared displacement of the mean director using the concept of the mean director of various nematic liquid crystals. The calculated values were compared with the experiment results that predicted a good agreement. Additional points that must be considered for further study are also discussed.

Original language	English
Pages (from-to)	135-139
Number of pages	5
Journal	Journal of Information Display
Volume	12
Issue number	3
DOIs	https://doi.org/10.1080/15980316.2011.593903
State	Published - Sep 2011

Bibliographical note

Funding Information:
The authors acknowledge Yong-Kuk Yun, Ph.D., and Seung-Eun Lee, Ph.D., from Merck Korea, for providing the experimental rotational viscosity data on the E7 mixture; Sang Soo Han, Ph.D., from the Korea Research Institute of Standards and Science for the detailed discussions; Kwang Jin Oh, Ph.D., and Ji-Hoon Jang from the Supercomputing Center of the Korea Institute of Science and Technology Information for the detailed discussions and for their support with the partial computing resources; Junard Lee and Hyungon Ryu from NVIDIA and David Yang from Miruware for their partial support with the computing resources; and Mr. Min Cheol Han from the Department of Nuclear Engineering of Hanyang University for his discussion on openMP.

Keywords

E7
liquid crystals
molecular dynamics
rotational viscosity

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10.1080/15980316.2011.593903

Cite this

@article{b9d9dba9f2d6464a9bfa36b6cca6b838,

title = "Rotational viscosity calculation method for liquid crystal mixture using molecular dynamics",

abstract = "This paper presents the directly obtained rotational viscosity values of E7, which includes pentylcyanobiphenol, heptylcyanobiphenol, 4-cyano-4′ -n-octyloxy-1,1′ -biphenyl, and 4-cyano-4 ″-n-pentyl-1,1′,1 ″-terphenyl, at various temperatures using molecular dynamics computer simulation. The director mean squared displacement was achieved from the squared displacement of the mean director using the concept of the mean director of various nematic liquid crystals. The calculated values were compared with the experiment results that predicted a good agreement. Additional points that must be considered for further study are also discussed.",

keywords = "E7, liquid crystals, molecular dynamics, rotational viscosity",

author = "Kim, \{J. S.\} and M. Jamil and Jung, \{J. E.\} and Jang, \{J. E.\} and Lee, \{J. W.\} and F. Ahmad and Woo, \{M. K.\} and Kwak, \{J. Y.\} and Jeon, \{Y. J.\}",

note = "Funding Information: The authors acknowledge Yong-Kuk Yun, Ph.D., and Seung-Eun Lee, Ph.D., from Merck Korea, for providing the experimental rotational viscosity data on the E7 mixture; Sang Soo Han, Ph.D., from the Korea Research Institute of Standards and Science for the detailed discussions; Kwang Jin Oh, Ph.D., and Ji-Hoon Jang from the Supercomputing Center of the Korea Institute of Science and Technology Information for the detailed discussions and for their support with the partial computing resources; Junard Lee and Hyungon Ryu from NVIDIA and David Yang from Miruware for their partial support with the computing resources; and Mr. Min Cheol Han from the Department of Nuclear Engineering of Hanyang University for his discussion on openMP.",

year = "2011",

month = sep,

doi = "10.1080/15980316.2011.593903",

language = "English",

volume = "12",

pages = "135--139",

journal = "Journal of Information Display",

issn = "1598-0316",

publisher = "Taylor and Francis Ltd.",

number = "3",

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T1 - Rotational viscosity calculation method for liquid crystal mixture using molecular dynamics

AU - Kim, J. S.

AU - Jamil, M.

AU - Jung, J. E.

AU - Jang, J. E.

AU - Lee, J. W.

AU - Ahmad, F.

AU - Woo, M. K.

AU - Kwak, J. Y.

AU - Jeon, Y. J.

N1 - Funding Information: The authors acknowledge Yong-Kuk Yun, Ph.D., and Seung-Eun Lee, Ph.D., from Merck Korea, for providing the experimental rotational viscosity data on the E7 mixture; Sang Soo Han, Ph.D., from the Korea Research Institute of Standards and Science for the detailed discussions; Kwang Jin Oh, Ph.D., and Ji-Hoon Jang from the Supercomputing Center of the Korea Institute of Science and Technology Information for the detailed discussions and for their support with the partial computing resources; Junard Lee and Hyungon Ryu from NVIDIA and David Yang from Miruware for their partial support with the computing resources; and Mr. Min Cheol Han from the Department of Nuclear Engineering of Hanyang University for his discussion on openMP.

PY - 2011/9

Y1 - 2011/9

N2 - This paper presents the directly obtained rotational viscosity values of E7, which includes pentylcyanobiphenol, heptylcyanobiphenol, 4-cyano-4′ -n-octyloxy-1,1′ -biphenyl, and 4-cyano-4 ″-n-pentyl-1,1′,1 ″-terphenyl, at various temperatures using molecular dynamics computer simulation. The director mean squared displacement was achieved from the squared displacement of the mean director using the concept of the mean director of various nematic liquid crystals. The calculated values were compared with the experiment results that predicted a good agreement. Additional points that must be considered for further study are also discussed.

AB - This paper presents the directly obtained rotational viscosity values of E7, which includes pentylcyanobiphenol, heptylcyanobiphenol, 4-cyano-4′ -n-octyloxy-1,1′ -biphenyl, and 4-cyano-4 ″-n-pentyl-1,1′,1 ″-terphenyl, at various temperatures using molecular dynamics computer simulation. The director mean squared displacement was achieved from the squared displacement of the mean director using the concept of the mean director of various nematic liquid crystals. The calculated values were compared with the experiment results that predicted a good agreement. Additional points that must be considered for further study are also discussed.

KW - E7

KW - liquid crystals

KW - molecular dynamics

KW - rotational viscosity

UR - https://www.scopus.com/pages/publications/84861013654

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DO - 10.1080/15980316.2011.593903

M3 - Article

AN - SCOPUS:84861013654

SN - 1598-0316

VL - 12

SP - 135

EP - 139

JO - Journal of Information Display

JF - Journal of Information Display

IS - 3

ER -

Rotational viscosity calculation method for liquid crystal mixture using molecular dynamics

Abstract

Bibliographical note

Keywords

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