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Molecular dynamics simulations studies of nanoparticles in an isotropic liquid crystal matrix: Single particle behavior and pairwise interactions
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10.1063/1.2194534
/content/aip/journal/jcp/124/16/10.1063/1.2194534
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/16/10.1063/1.2194534
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Figures

Image of FIG. 1.
FIG. 1.

Pair potential (in units of ) for SSC-SSC, SSC-NP, and NP-NP interactions as a function of separation.

Image of FIG. 2.
FIG. 2.

The orientational correlation between the SSC molecular long axis and the vector connecting the centers-of-mass of the SSC and the NP (shown schematically in the inset) as a function of separation between the SSC center-of-mass and the NP surface. The correlation is weighted by the NP-SSC pair distribution function.

Image of FIG. 3.
FIG. 3.

(a) The local orientational order parameter for half-spherical shells containing approximately 50 SSCs as a function of distance from the shell to a nanoparticle surface compared to the order parameter in an equivalent volume in the pure SSC. (b) Same as (a) for fluctuations in the local orientational order parameter.

Image of FIG. 4.
FIG. 4.

End-to-end vector autocorrelation function for SSCs whose center of mass is within of the surface of a NP for various. Also shown is the end-to-end vector autocorrelation function for SSCs in the pure nematogen phase. Time is in reduced units.

Image of FIG. 5.
FIG. 5.

The PMF (a) and matrixed-induced force (b) between a pair of small and large NPs in the dense isotropic phase of SSCs as a function of separation between the NP surfaces. The matrix induced forces are directly obtained by numerical derivatives from PMF and errors are magnified by this process, resulting rough curves but qualitatively reflect the repulsion and attraction part of the PMF curve.

Image of FIG. 6.
FIG. 6.

Orientational order of SSCs in the volume between NPs for various interparticle distances. The cylindrical volume formed between two NPs of the diameter D and surface separation is illustrated by the grey region. The inset shows the distribution of the number of SSC in between two large NPs at a separation of .

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/content/aip/journal/jcp/124/16/10.1063/1.2194534
2006-04-27
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Molecular dynamics simulations studies of nanoparticles in an isotropic liquid crystal matrix: Single particle behavior and pairwise interactions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/16/10.1063/1.2194534
10.1063/1.2194534
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