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Atomistic simulations of tensile and bending properties of single-crystal BCC-Iron nanobeams

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Author

Summary, in English

In this paper, we report the results of a systematic study of the elastic properties of nanosized single-crystal wires and beams of bcc iron. Both tensile and bending stiffnesses have been determined employing molecular statics simulations for specimens of different sizes and three different crystallographic orientations. We also analyze the influence of circular cross sections and rounded edges compared to square cross sections with sharp edges for one of the crystallographic orientations. The simulations show that there is a size dependence in Young's modulus and that different crystallographic orientations display different elastic behaviors. There are bands of deviating Young's modulus over the cross sections in the direction 45 degrees from the surfaces emanating from the edges, giving the cross section a heterogeneous character. Rounding the edges, or making the cross section circular, has little influence on the average Young's modulus, but it does influence the distribution over the cross section and, consequently, the aforementioned bands.

Publishing year

2007

Language

English

Publication/Series

Physical Review B (Condensed Matter and Materials Physics)

Volume

76

Issue

22

Document type

Journal article

Publisher

American Physical Society

Topic

  • Materials Engineering
  • Applied Mechanics

Status

Published

ISBN/ISSN/Other

  • ISSN: 1098-0121