Understanding soft condensed matter via modeling and by Wenbing Hu, An-Chang Shi

By Wenbing Hu, An-Chang Shi

All residing organisms include delicate subject. consequently on my own, you will need to manage to comprehend and are expecting the structural and dynamical houses of soppy fabrics equivalent to polymers, surfactants, colloids, granular subject and beverages crystals. to accomplish a greater knowing of sentimental topic, 3 diversified techniques must be built-in: test, thought and simulation. This publication makes a speciality of the 3rd method - yet consistently within the context of the opposite

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Kohl and A. H¨ artel for many helpful suggestions. This work was supported by the DFG (SPP1296 and SFB TR6 (project D3)). References [1] A. F. Th¨ unemann, M. M¨ uller, H. -F. Joanny, H. L¨ owen, Adv. Polym. Sci. 166, pages 113-171 (2004), Springer Series. [2] H. L¨ owen, G. Kramposthuber, Europhys. Letters 23, 637-678 (1993). [3] G. A. Vliegenthart, P. van der Schoot, Europhys. Lett. 62, 600-606 (2003). [4] J. Dzubiella, H. L¨ owen, C. N. Likos, Phys. Rev. Letters 91, 248301 (2003). [5] M. Doi, S.

In conclusion, various shapes of the pairwise interaction potential can lead to a rich phase behaviour and there is the theoretical challenge to construct a microscopic approach in order to predict and reproduce this complex phase behaviour. As will be discussed in the sequel, classical density functional theory for inhomogeneous fluids does provide such an approach. 5. Density Functional Theory (DFT) a) Basics The cornerstone of density functional theory (DFT) is an existence theorem combined with a basic variational principle [10].

Therefore, necessarily kB T (35) D0 = ξ which is the so-called Stokes-Einstein relation. Hence j = − 1ξ (kB T ∇ρ + ρ∇Vext ) and the continuity equation yields ∂ρ(r, t) 1 = (kB T ∆ρ(r, t) + ∇(ρ(r, t)∇Vext (r))) ∂t ξ (36) which is called Smoluchowski equation (for non-interacting particles). The same equation holds for the probability density w(r, t) to find a particle at position r for time t. For N non-interacting particles, 1 w(r, t) = ρ(r, t) , (37) N and the Smoluchowski equation reads: ∂w 1 = (kB T ∆w − ∇(w · ∇Vext )) (38) ∂t ξ Now we consider N interacting particles.

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