Titlebook: Bridging the Time Scales; Molecular Simulation Peter Nielaba,Michel Mareschal,Giovanni Ciccotti Book 2002 Springer-Verlag Berlin Heidelberg

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Variable-Connectivity Monte Carlo Algorithms for the Atomistic Simulation of Long-Chain Polymer Systties in long-chain synthetic polymer melts (polyethylene, polypropylene, polyisoprene); melt elasticity and birefringence under conditions of steadystate flow; sorption equilibria of alkanes in polyethylene melts; and composition profiles at solid/polymer interfaces strengthened with grafted polymer

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Go-with-the-Flow Lattice Boltzmann Methods for Tracer Dynamicses on a time-scale determined by molecular diffusion. This behaviour is not what is expected for a random medium. Our results thus illustrate that a periodic system is too crude an approximation, as far as dispersion in random media is concerned. Nonetheless, our values for the dispersion coefficien

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Jürgen Janovsky,Bettina Wikarski as the time and/or length scales grow. This will be discussed further in Sect. 2.3. Bridging these disparate scales is possible with multiscale modeling [.,.,.] in which the various levels of treatment are coupled and fed back into one another.

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https://doi.org/10.1007/978-3-8349-9115-7ties in long-chain synthetic polymer melts (polyethylene, polypropylene, polyisoprene); melt elasticity and birefringence under conditions of steadystate flow; sorption equilibria of alkanes in polyethylene melts; and composition profiles at solid/polymer interfaces strengthened with grafted polymer

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Rudolf Ergenzinger,Jan S. Krulis-Randa how it is possible to avoid effects that merely arise due to poor models. Moreover, it will be outlined how it is possible to gain insight into tribological processes that take place on macroscopic time scales with the help of atomistic computer simulations, which are typically constrained to the n

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