Jump to main content
Jump to site search

Issue 23, 2014
Previous Article Next Article

Investigation of the fracture mechanism of Cu–Al gradient structure

Author affiliations

Abstract

The mechanical properties of a Cu–Al gradient structure obtained from a tensile test have been investigated by molecular dynamics simulation. The tight binding potential was used to model the interaction between the Cu–Al atoms. The parameters of the TB potential were fitted according to the binding energies, atomic forces of the structures, and elastic constants of CuAl, CuAl2 and Cu3Al by density functional theory (DFT) calculations. These parameters were further applied to generate the Cu–Al gradient structure and perform the tensile test simulation. Meanwhile, the Honeycutt–Andersen (HA) index, radius distribution function and angular correlation function were used to analyze the characteristics of the atomic structure.

Graphical abstract: Investigation of the fracture mechanism of Cu–Al gradient structure

  • This article is part of the themed collection: ChinaNANO
Back to tab navigation

Publication details

The article was received on 29 Oct 2013, accepted on 07 Jan 2014 and first published on 25 Feb 2014


Article type: Paper
DOI: 10.1039/C3RA46207B
Citation: RSC Adv., 2014,4, 11975-11979
  •   Request permissions

    Investigation of the fracture mechanism of Cu–Al gradient structure

    W. Lee, H. Chen, J. Hsieh, S. Ju, J. Wang and J. Lin, RSC Adv., 2014, 4, 11975
    DOI: 10.1039/C3RA46207B

Search articles by author

Spotlight

Advertisements