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Title: Shear-induced conformation change in α-crystalline nylon6

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.
Authors:
 [1] ;  [2] ; ;  [1] ;  [3] ;  [4]
  1. Department of Mechanical Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore, Singapore 117575 (Singapore)
  2. (Agency for Science, Technology and Research), 3 Research link, Singapore, Singapore 117602 (Singapore)
  3. Institute of Materials Research and Engineering, A-STAR (Agency for Science, Technology and Research), 3 Research link, Singapore, Singapore 117602 (Singapore)
  4. (Singapore)
Publication Date:
OSTI Identifier:
22402400
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 105; Journal Issue: 22; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; DEFORMATION; DENSITY FUNCTIONAL METHOD; HYDROGEN; SHEAR; SHEAR PROPERTIES; STRAINS; STRESSES