Multishell structure formation in Ni nanowire under uniaxial strain along 〈0 0 1〉 crystallographic direction: A molecular dynamics simulation

• Published in: Physica. B, Condensed matter Condensed matter, 2010-04, Vol.405 (7), p.1721-1724
• Main Authors: Wang, Li, Peng, Chuanxiao, Gong, Jianhong
• Format: Article
• Language: English
• Subjects: Brackets; Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Equations of state, phase equilibria, and phase transitions; Exact sciences and technology; Materials science; Mechanical and acoustical properties of condensed matter; Mechanical properties of nanoscale materials; Molecular dynamics; Multishell structure; Nanocomposites; Nanomaterials; Nanoscale materials and structures: fabrication and characterization; Nanostructure; Ni nanowire; Nickel; Physics; Quantum wires; Simulation; Specific phase transitions; Strain rate; Structural transformation; Structural transitions in nanoscale materials
• ISSN: 0921-4526; 1873-2135
• DOI: 10.1016/j.physb.2009.12.076

Molecular dynamics simulations based upon embedded-atom-method potential are employed to explore the fracture behavior of Ni nanowire along 〈0 0 1〉 crystallographic direction at temperature of 300 K. We find the formation of (5,5) multishell structure (MS), which is transformed from (6,5) MS at the necking region of nanowire under the strain rate of 0.02%ps −1. A reorientation transformation from 〈0 0 1〉 to 〈1 1 0〉 is first detected before formation of (6,5) MS. The formed (5,5) MS is more stable and can be tensioned longer as lower strain rate is loaded.