Article | REF: J1013 V1

Molecular modeling

Author: Hervé TOULHOAT

Publication date: June 10, 2007, Review date: March 1, 2015

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1. Mechanical properties

The subject is covered in detail in the reference , with an application to the case of amorphous and crystalline polymers. We will limit ourselves here to recalling the general approach valid under the assumptions of linear elasticity theory.

In this framework, the rank-4 symmetric tensor of elastic constants

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Mechanical properties