Molecular dynamics study of polyethylene extension

Alexander I. Melker; Dmitri V. Soloviev

doi:10.1117/12.347410

5 May 1999 Molecular dynamics study of polyethylene extension

Alexander I. Melker, Dmitri V. Soloviev

Proceedings Volume 3687, International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (1999) https://doi.org/10.1117/12.347410
Event: International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 1998, St. Petersburg, Russian Federation

Abstract

Molecular dynamics study of polyethylene extension is presented. The simulations were made using a model of a polyethylene globule containing 500 carbon and 1002 hydrogen atoms, which represents a small part of a bulk polymer specimen. The main objective of this work was to analyze the macromolecule structure evolution as well as to obtain stress- strain diagrams for the process. It is found that the stress- strain diagrams consist of three parts. The first part is due to deformation annealing, the second part is associated with work-hardening and the third one is connected with formation of an oriented structure. On the basis of the structure changes a molecular theory of deformation is suggested.

Citation Download Citation

Alexander I. Melker and Dmitri V. Soloviev "Molecular dynamics study of polyethylene extension", Proc. SPIE 3687, International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (5 May 1999); https://doi.org/10.1117/12.347410

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