Molecular dynamics simulation on creep-ratcheting behavior of columnar nanocrystalline aluminum

PN Babu and S Pal, JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 118, 108376 (2023).

DOI: 10.1016/j.jmgm.2022.108376

Creep-ratcheting deformation behavior of columnar nanocrystalline (NC) Al varying in grain sizes have been studied using molecular dynamics simulations at three different temperatures (300 K, 467 K, and 653 K). The underlying deformation mechanisms of columnar NC Al for two stress ratios of ratcheting are also evaluated in this study. The highest strain accumulation and rapid hysteresis loop proliferation are attained at 653 K. The dislocation density is low at 653 K in contrast to the other two deformation temperatures. The perfect disloca-tions support the creep-deformation process followed by Shockley partial dislocations. It is observed that the cyclic hardening phenomenon at 300 K and the cyclic softening phenomenon at 653 K dominate during creep-ratcheting loading. The specimen fails earlier at higher temperatures owing to the change in the shape of hys-teresis loops. The predominant grain boundary-based deformation mechanisms of columnar NC Al specimens are grain boundary (GB) migration, GB diffusion, GB widening, GB sliding, and GBs merging for all the deformation temperatures. The variation in the extent of deformation with respect to temperatures depends on strain accu-mulation in the plastic region under creep-ratcheting loading.

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