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Proceedings Paper

Polymer deformation: computer simulation and theory of compression of a polymer crystal
Author(s): Alexander I. Melker; Alexandre A. Ivanov; Sergei N. Romanov
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Paper Abstract

In this contribution, we report on a study of the compression of a crystalline polymer. This process is computer simulated by the method of molecular dynamics using the bead model. The initial crystalline structure is obtained by the self-organization procedure. The structure contains 500 beads and consists of two crystalline globules. Macroscopic characteristics like the stress-strain relation, temperature change during deformation, and mesoscopic characteristics like displacements, velocities, and paths of layer-averaged beads as well as microscopic changes are investigated. It is found that the stress-strain diagrams consist of three parts. The first part is due to elastic deformation, the second part is associated with laminar and turbulent flow of the layer-averaged beads, and the third one is related to periodic turbulent flow. These modes of motion correlate with the movement of polymer chain segments leading to the transformation of the initially perfect crystalline structure into a highly orientated one. On the basis of the observed structure changes, a constitutive equation is suggested. The equation describes work-hardening of polymer crystals under compression.

Paper Details

Date Published: 1 January 1998
PDF: 8 pages
Proc. SPIE 3345, International Workshop on New Approaches to High-Tech Materials: Nondestructive Testing and Computer Simulations in Materials Science and Engineering, (1 January 1998); doi: 10.1117/12.299599
Show Author Affiliations
Alexander I. Melker, St. Petersburg State Technical Univ. (Russia)
Alexandre A. Ivanov, St. Petersburg State Technical Univ. (Russia)
Sergei N. Romanov, St. Petersburg State Technical Univ. (Russia)


Published in SPIE Proceedings Vol. 3345:
International Workshop on New Approaches to High-Tech Materials: Nondestructive Testing and Computer Simulations in Materials Science and Engineering
Alexander I. Melker, Editor(s)

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