Does anyone can give me any document where a proper way of coarse-graining is presented for entangled polymer dynamics from atomistic simulations, without any input from the tube picture? In general, the projection operator idea realizes the coarse-graining, but we need proper mobility matrix that represents the entanglement constraint. I think it is not automatically obtained, specifically under large deformation / fast flows. The difficulty seems essentially common for the GENERIC formalism developed by ETH group...??
Dear Professor Komarov,
Thanks again. The topic seems somewhat different, but anyway your suggestion is appreciated. I will read them.
Dear Yuichi,
a review article on this topic has been just published: http://www.mdpi.com/2073-4360/5/2/751/pdf. To my knowledge there are only few examples of a direct application (to polymer dynamics) of the projection-operators formalism: one of them is http://jcp.aip.org/resource/1/jcpsa6/v113/i15/p6409_s1, other examples are (more recent) http://jcp.aip.org/resource/1/jcpsa6/v132/i22/p224903_s1 and http://jcp.aip.org/resource/1/jcpsa6/v138/i12/p12A546_s1. I hope they may help you.
Dear Giuseppe,
I thank you very much!! Your response is actually what I looked for. Indeed, I am very interested in the way of correct coarse-graining on the friction, rather than the entropy.
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