Результаты исследований: Научные публикации в периодических изданиях › статья
Reference hypernetted chain theory for ferrofluid bilayer: Distribution functions compared with Monte Carlo. / Polyakov, E.A.; Vorontsov-Velyaminov, P.N.
в: Journal of Chemical Physics, Том 141, № 8, 2014, стр. 084109_1-13.Результаты исследований: Научные публикации в периодических изданиях › статья
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TY - JOUR
T1 - Reference hypernetted chain theory for ferrofluid bilayer: Distribution functions compared with Monte Carlo
AU - Polyakov, E.A.
AU - Vorontsov-Velyaminov, P.N.
PY - 2014
Y1 - 2014
N2 - Properties of ferrofluid bilayer (modeled as a system of two planar layers separated by a distance h and each layer carrying a soft sphere dipolar liquid) are calculated in the framework of inhomogeneous Ornstein-Zernike equations with reference hypernetted chain closure (RHNC). The bridge functions are taken from a soft sphere (1/r 12) reference system in the pressure-consistent closure approximation. In order to make the RHNC problem tractable, the angular dependence of the correlation functions is expanded into special orthogonal polynomials according to Lado. The resulting equations are solved using the Newton-GRMES algorithm as implemented in the public-domain solver NITSOL. Orientational densities and pair distribution functions of dipoles are compared with Monte Carlo simulation results. A numerical algorithm for the Fourier-Hankel transform of any positive integer order on a uniform grid is presented.
AB - Properties of ferrofluid bilayer (modeled as a system of two planar layers separated by a distance h and each layer carrying a soft sphere dipolar liquid) are calculated in the framework of inhomogeneous Ornstein-Zernike equations with reference hypernetted chain closure (RHNC). The bridge functions are taken from a soft sphere (1/r 12) reference system in the pressure-consistent closure approximation. In order to make the RHNC problem tractable, the angular dependence of the correlation functions is expanded into special orthogonal polynomials according to Lado. The resulting equations are solved using the Newton-GRMES algorithm as implemented in the public-domain solver NITSOL. Orientational densities and pair distribution functions of dipoles are compared with Monte Carlo simulation results. A numerical algorithm for the Fourier-Hankel transform of any positive integer order on a uniform grid is presented.
KW - particle distribution functions
KW - monolayers
KW - fourier transforms
KW - correlation functions
KW - integral equations
U2 - 10.1063/1.4894135
DO - 10.1063/1.4894135
M3 - Article
VL - 141
SP - 084109_1-13
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 8
ER -
ID: 7010259