Influence of Asymmetric Cyclic Loading on Structural Evolution and Deformation Behavior of Cu-5 at.% Zr Alloy: An Atomistic Simulation- Based Study

M Meraj and K Dutta and R Bhardwaj and N Yedla and V Karthik and S Pal, JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE, 26, 5197-5205 (2017).

DOI: 10.1007/s11665-017-3003-1

Molecular dynamics (MD) simulation-based studies of tensile test and structural evolution of Cu-5 at.% Zr alloy under asymmetric cyclic loading (i.e., ratcheting behavior) considering various stress ratios such as 2 0.2, - 0.4 and - 0.6 for different temperatures, viz.approximate to 100, 300 and 500 K have been performed using embedded atom model Finnis-Sinclair potential. According to obtained stress- strain response from MD calculation, Cu-5 at.% Zr alloy specimen is pristine in nature as sudden drop in stress just after yield stress and subsequent elastic type deformation are observed for this alloy. Predicted ratcheting strain by MD simulation for Cu-5 at.% Zr alloy varies from 4.5 to 5%. Significant increase in ratcheting strain has been observed with the increase in temperature. Slight reduction in crystallinity is identified at the middle of the each loading cycle from the performed radial distribution function analysis and cluster analysis.

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