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Structure, molecular dynamics, and stress in a linear polymer

Srivastava, Prashant Kumar and Venkatraman, Kartik (2013) Structure, molecular dynamics, and stress in a linear polymer. In: Mechanics of Materials, 61 . pp. 49-59.

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Official URL: http://dx.doi.org/10.1016/j.mechmat.2013.02.007


We present a study correlating uniaxial stress in a polymer with its underlying structure when it is strained. The uniaxial stress is significantly influenced by the mean-square bond length and mean bond angle. In contrast, the size and shape of the polymer, typically represented by the end-to-end length, mass ratio, and radius of gyration, contribute negligibly. Among externally set control variables, density and polymer chain length play a critical role in influencing the anisotropic uniaxial stress. Short chain polymers more or less behave like rigid molecules. Temperature and rate of loading, in the range considered, have a very mild effect on the uniaxial stress.

Item Type: Journal Article
Publication: Mechanics of Materials
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science.
Keywords: Polymer; Micro-Structure; Anisotropic Uniaxial Stress; Dynamic Strain; Molecular Dynamics
Department/Centre: Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering)
Date Deposited: 21 Jun 2013 05:00
Last Modified: 21 Jun 2013 05:00
URI: http://eprints.iisc.ac.in/id/eprint/46713

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