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Sites on the Coarse-Grained Scale

In a meso-scale model, a group of atoms is often replaced by a single interaction center. This center is usually the size of a monomer in a polymer and it is often called a super-atom. Because the super-atoms are the only interaction centers in a meso-scale simulation, they are required to carry the information of the interactions between the real atoms in their local geometrical arrangements that are imposed by the chemistry of the polymer. [Pg.237]

Coarse-graining techniques are based on the idea of effective interaction potentials between super-atoms. The larger-scale model is calibrated against the smaller-scale model, which is considered to be more reliable and is used as a gold standard. Thus, any deficiencies of the small-scale model are carried over to the large-scale model. [Pg.238]


See other pages where Sites on the Coarse-Grained Scale is mentioned: [Pg.237]    [Pg.496]   


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Coarse grain

Coarse graining

Coarseness

Grain coarse-grained

Grain, the

Grains scaling

The 6 scale

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