Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Rotational viscosity in a nematic liquid crystal : A theoretical treatment and molecular dynamics simulation. / Zakharov, A. V.; Komolkin, A. V.; Maliniak, A.
в: Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Том 59, № 6, 01.01.1999, стр. 6802-6807.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Rotational viscosity in a nematic liquid crystal
T2 - A theoretical treatment and molecular dynamics simulation
AU - Zakharov, A. V.
AU - Komolkin, A. V.
AU - Maliniak, A.
PY - 1999/1/1
Y1 - 1999/1/1
N2 - The rotational viscosity coefficient [Formula Presented] of [Formula Presented]-pentyl-[Formula Presented]-cyanobiphenyl in the nematic phase is investigated by combination of existing statistical-mechanical approaches (SMAs), based on a rotational diffusion model and computer simulation technique. The SMAs rest on a model in which it is assumed that the reorientation of an individual molecule is a stochastic Brownian motion in a certain potential of mean torque. According to the SMAs, [Formula Presented] is found to be a function of temperature, density, rotational diffusion coefficient, and a number of order parameters (OPs). The diffusion coefficient and the OPs were obtained from an analysis of a trajectory generated in a molecular dynamics simulation using realistic atom-atom interactions. In addition, a set of experimentally determined diffusion coefficients and OPs was used for evaluation of [Formula Presented]. Reasonable agreement between calculated and experimental values of [Formula Presented] is obtained. It is shown that near the clearing point [Formula Presented] is proportional to [Formula Presented], where [Formula Presented] is the second-rank OP. This limiting value of [Formula Presented] is in agreement with mean-field theory.
AB - The rotational viscosity coefficient [Formula Presented] of [Formula Presented]-pentyl-[Formula Presented]-cyanobiphenyl in the nematic phase is investigated by combination of existing statistical-mechanical approaches (SMAs), based on a rotational diffusion model and computer simulation technique. The SMAs rest on a model in which it is assumed that the reorientation of an individual molecule is a stochastic Brownian motion in a certain potential of mean torque. According to the SMAs, [Formula Presented] is found to be a function of temperature, density, rotational diffusion coefficient, and a number of order parameters (OPs). The diffusion coefficient and the OPs were obtained from an analysis of a trajectory generated in a molecular dynamics simulation using realistic atom-atom interactions. In addition, a set of experimentally determined diffusion coefficients and OPs was used for evaluation of [Formula Presented]. Reasonable agreement between calculated and experimental values of [Formula Presented] is obtained. It is shown that near the clearing point [Formula Presented] is proportional to [Formula Presented], where [Formula Presented] is the second-rank OP. This limiting value of [Formula Presented] is in agreement with mean-field theory.
UR - http://www.scopus.com/inward/record.url?scp=0032614150&partnerID=8YFLogxK
U2 - 10.1103/PhysRevE.59.6802
DO - 10.1103/PhysRevE.59.6802
M3 - Article
AN - SCOPUS:0032614150
VL - 59
SP - 6802
EP - 6807
JO - Physical Review E
JF - Physical Review E
SN - 1539-3755
IS - 6
ER -
ID: 51875342