Abstract
The heterogeneous mechanical response of a crystalline alloy with multiple principal elements was investigated using molecular dynamics simulations. The local configuration of the alloy in its quiescent state was characterized by the variables derived from the gyration tensor and the atomic electronegativity. A multivariate analysis identified the geometric and chemical factors that influenced the atomic packing variations. Upon straining, the non-affine displacement exhibited spatial heterogeneity. A statistical correlation was established between the local yield events and the specific features of the local configuration. Our findings, validated by the performance metrics analysis, provided a structural criterion for the instability mechanisms in high-entropy alloys (HEAs) and enhanced the understanding of their plasticity.
| Original language | English |
|---|---|
| Pages (from-to) | 5755-5767 |
| Number of pages | 13 |
| Journal | JOM |
| Volume | 76 |
| Issue number | 10 |
| DOIs | |
| State | Published - Oct 2024 |
Funding
This research was performed at the Spallation Neutron Source, which is a DOE Office of Science User Facilities operated by Oak Ridge National Laboratory. C.-H. T. and S.-Y.C. acknowledge the support by the Ministry of Science and Technology, Taiwan, under Grant No. MOST 108-2221-E007-054-MY3. Z. B. and Y. F. acknowledge the support by the National Science Foundation under Grant No. DMR-1944879.