Quizzed article | REF: AF6042 V2

Molecular Modeling and Simulation of Polymers

Author: Armand SOLDERA

Publication date: April 10, 2018, Review date: July 30, 2021 | Lire en français

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    6. Results analysis

    6.1 Dynamic properties

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    6.1.1 Context

    Being able to reveal the dynamics of polymers is a major contribution of simulation. In fact, it is rare for experiments to provide access to the microscopic detail of molecular movements resulting from relaxation phenomena. The purpose of correlation functions is to account for such processes. Fluctuations in various properties extracted from a dynamics allow access to properties that could only be accessible in the thermodynamic limit.

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