کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
502903 | 863729 | 2008 | 5 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Long-time self-diffusion for Brownian Gaussian-core particles Long-time self-diffusion for Brownian Gaussian-core particles](/preview/png/502903.png)
Using extensive Brownian dynamics computer simulations, the long-time self-diffusion coefficient is calculated for Gaussian-core particles as a function of the number density. Both spherical and rod-like particles interacting via Gaussian segments are considered. For increasing concentration we find that the translational self-diffusion behaves non-monotonically reflecting the structural reentrance effect in the equilibrium phase diagram. Both in the limits of zero and infinite concentration, it approaches its short-time value. The microscopic Medina-Noyola theory qualitatively accounts for the translational long-time diffusion. The long-time orientational diffusion coefficient for Gaussian rods, on the other hand, remains very close to its short-time counterpart for any density. Some implications of the weak translation–rotation coupling for ultrasoft rods are discussed.
Journal: Computer Physics Communications - Volume 179, Issues 1–3, July 2008, Pages 77–81