Shear-induced conformation change in α-crystalline nylon6

Journal Article · Mon Dec 01 00:00:00 EST 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4903181· OSTI ID:22402400

Arabnejad, Saeid ^[1]; Manzhos, Sergei; Shim, V. P. W. ^[1]; He, Chaobin ^[2]

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1. Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore, Singapore 117575 (Singapore)
2. Institute of Materials Research and Engineering, A-STAR (Agency for Science, Technology and Research), 3 Research link, Singapore, Singapore 117602 (Singapore)

A study of shear deformation of α-crystalline nylon6 is undertaken, using dispersion-corrected density functional theory. The shear stress-strain relationship and shear strength for interlayer shear deformation are computed. A conformation change induced by shear is identified along twinning deformation, whereby the conformation of chains, specifically the location of non-H-bonded hydrogen atoms, changes continuously. This paves a way for the modulation of properties of this group of materials by small shear deformation, if the non-H-bonded hydrogens are chemically substituted to form non-equivalent conformations when deformed.

• OSTI ID: 22402400
• Journal Information: Applied Physics Letters, Vol. 105, Issue 22; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
DEFORMATION
DENSITY FUNCTIONAL METHOD
HYDROGEN
SHEAR
SHEAR PROPERTIES
STRAINS
STRESSES