Effect of Inclination Angle on Mechanical Behaviour and Deformation Asymmetry in Aluminium Bicrystal

Article type: Research Article

Authors: Xing, Bobin^a | Yan, Shaohua^a | Jiang, Wugui^b | Qin, Qing H.^{a; *}

Affiliations: [a] Research School of Engineering, Australian National University, Acton, ACT 2601, Australia | [b] School of Aeronautical Manufacturing Engineering, Nanchang Hangkong University, Nanchang 330063, China

Correspondence: [*] Corresponding author. Email: qinghua.qin@anu.edu.au

Abstract: The influence of inclination angle of the grain boundary (GB) and the stress sign (negative or positive) on the mechanical performance of ∑13 aluminium (Al) bicrystals are investigated via molecular dynamic (MD) simulations of the deformation process. The mechanical response of the slanted GB ranging from 0° to 60° shows that (i) the peak yield needed for dislocation nucleation is inversely proportional to the magnitude of the angle; (ii) compression favors greater yield stresses of the slanted bicrystals than tension. Corresponding Schmid factors give an insight on how the inclination angle tends to compromise the elasticity of the bicrystal. Moreover, a considerable discrepancy in plasticity is also identified by dynamic monitoring of the atomic configuration and HCP atoms. This study provides a prediction of the impact of inclination angle on mechanical behaviour of bicrystal metals.

Keywords: Molecular dynamics, Grain boundary, Slanted Aluminium Bicrystal, Asymmetry

DOI: 10.3233/jid-2017-0009

Journal: Journal of Integrated Design and Process Science, vol. 22, no. 3, pp. 21-34, 2018