Equation of states, self-diffusion constants, velocity autocorrelation functions v. Comparisons are made with the result of the hard-core system. Diffusion constants of Kr and Lennard-Jones system are found to be well fitted by the soft-core model. Journal of the Physical Society of Japan 60 pp. Journal of the Physical Society of Japan 67 pp. Journal of the Physical Society of Japan 76 12 pages. Progress of Theoretical Physics Vol. Oxford University Press is a department of the University of Oxford. It furthers the University's objective of excellence in research, scholarship, and education by publishing worldwide. Sign In or Create an Account.
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Numerical and analytical studies of the onset of percolation in high-aspect-ratio fiber fiber systems such as nanotube reinforced polymers available in the literature have consistently modeled fibers as penetrable, straight, capped cylinders, also referred to as spherocylinders. In reality, however, fibers of very high-aspect ratio embedded in a polymer do not come into direct physical contact with each other, let alone exhibit any degree of penetrability. Further, embedded fibers of very high-aspect ratio are often actually wavy, rather than straight. In this two-part paper we address these critical differences between known physical systems, and the presently used spherocylinder percolation model. In Paper I we evaluate the effect of allowing penetration of the model fibers on simulation results by comparing the soft-core and the hard-core approaches to modeling percolation onset.
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View research View latest news Sign up for updates. A novel mesoscopic simulation model is proposed to study the liquid crystal phase behavior of the anisotropic rodlike particles with a soft repulsive interaction, which possesses a modified anisotropic conservative force type used in dissipative particle dynamics. The influences of the repulsion strength and the particle shape on the phase behavior of soft rodlike particles are examined. In the simulations, we observe the formation of the nematic phase and smectic-A phase from the initially isotropic phase. Moreover, we find that shorter soft rodlike particles with anisotropic repulsive interactions can form a stable smectic-B phase. Our results demonstrate that the soft anisotropic purely-repulsive potential between the rodlike particles can reflect the interaction nature between soft rodlike particles in a simple way and is sufficient to produce a range of ordered LC-like mesophases. This is a preview of subscription content, log in to check access. Rent this article via DeepDyve.
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