Polymer Dynamics and Relaxation
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The MCMC method fails for the first model due to the fact that the particle MCMC using for parameter estimation ends up with noisy likelihood and is unable to explore the parameter space sufficiently. Laplace transform and numerical approximation are applied to get the estimates of unknown parameters for the second model.
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Comparing the linear multi-bead model and the model with memory kernel, we find that the former is more promising to describe the dynamics of entanglement polymers. In Chapter 4, we introduce Monte Carlo methods in combination with the slipspring model, which was originally developed for describing dynamics of entangled polymers, for detecting entanglements in the polymer melts obtained from MD simulations.
The total number, the effective lengths and the locations of the anchor points of the slip-springs will be well decided by Bayesian statistical methods. The Bayesian alternative can also compute the posterior distribution of different models and provide uncertainty analysis on the estimation of model parameters.
Finally, in Chapter 5, we provide concluding remarks and discuss the limitations of our methodologies, and point out possible future research directions. Applications of Monte Carlo methods in studying polymer dynamics. The article was received on 07 Jun , accepted on 24 Aug and first published on 28 Aug If you are not the author of this article and you wish to reproduce material from it in a third party non-RSC publication you must formally request permission using Copyright Clearance Center. Go to our Instructions for using Copyright Clearance Center page for details.
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chistory.mlsit.ru/vendor/zvavich/490.html Sign up for new issue notifications. In this letter we report a large experimental effort exploring the dynamics of poly vinyl ethylene on length scales covering Rouse dynamics and below. Both regimes are separated by a well-defined dynamic crossover.
From that the size of the Gaussian blobs making up the Rouse model is determined directly. Following this observation, we may identify the universal glassy dynamics with subdiffusive motions occurring within these Gaussian blobs.