Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2411.13665 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866914218077323264 |
|---|---|
| author | Rahman, Kazi Tawseef Shahriar, Mustofa Sakif Ehsan, Mashaekh Tausif Hasan, Mohammad Nasim |
| author_facet | Rahman, Kazi Tawseef Shahriar, Mustofa Sakif Ehsan, Mashaekh Tausif Hasan, Mohammad Nasim |
| contents | Copper (Cu) segregation in medium and high-entropy alloys (M/HEAs) has shown significant influence on alloy properties. In this study, we investigate the effect of Cu segregation on evolution of irradiation-induced defects in FeNiCu, a model MEA, using hybrid molecular dynamics (MD) and Monte Carlo (MC) simulations. Thermodynamically driven hybrid MC/MD annealing at low temperature resulted in a partially decomposed Cu-segregated structure (CSS) and was compared with a random solid solution (RSS) and pure Ni. Results through cumulative displacement cascades reveal that Cu-rich domains in CSS act as defect traps, accelerating interstitial-vacancy recombination and suppressing defect cluster growth. The complex potential energy landscape (PEL) in CSS disrupts dislocation propagation, leading to spatially dispersed networks. Notably, CSS exhibits reduced stair-rod dislocation density compared to RSS, highlighting its superior resistance to irradiation swelling. Localized shear strain causes dislocations to preferentially nucleate in/near Cu-rich regions though their growth is hindered by chemical heterogeneity of the alloy. Notably, prolonged irradiation induces slow Cu segregation in the RSS structure, while slowly annihilating pre-existing Cu clusters in CSS simultaneously. The findings provide atomic-scale insights into the interplay between Cu segregation and irradiation-induced defect evolution in MEAs. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2411_13665 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Atomistic insights into Cu segregation effects on irradiation-induced defect dynamics in medium-entropy alloys Rahman, Kazi Tawseef Shahriar, Mustofa Sakif Ehsan, Mashaekh Tausif Hasan, Mohammad Nasim Materials Science Copper (Cu) segregation in medium and high-entropy alloys (M/HEAs) has shown significant influence on alloy properties. In this study, we investigate the effect of Cu segregation on evolution of irradiation-induced defects in FeNiCu, a model MEA, using hybrid molecular dynamics (MD) and Monte Carlo (MC) simulations. Thermodynamically driven hybrid MC/MD annealing at low temperature resulted in a partially decomposed Cu-segregated structure (CSS) and was compared with a random solid solution (RSS) and pure Ni. Results through cumulative displacement cascades reveal that Cu-rich domains in CSS act as defect traps, accelerating interstitial-vacancy recombination and suppressing defect cluster growth. The complex potential energy landscape (PEL) in CSS disrupts dislocation propagation, leading to spatially dispersed networks. Notably, CSS exhibits reduced stair-rod dislocation density compared to RSS, highlighting its superior resistance to irradiation swelling. Localized shear strain causes dislocations to preferentially nucleate in/near Cu-rich regions though their growth is hindered by chemical heterogeneity of the alloy. Notably, prolonged irradiation induces slow Cu segregation in the RSS structure, while slowly annihilating pre-existing Cu clusters in CSS simultaneously. The findings provide atomic-scale insights into the interplay between Cu segregation and irradiation-induced defect evolution in MEAs. |
| title | Atomistic insights into Cu segregation effects on irradiation-induced defect dynamics in medium-entropy alloys |
| topic | Materials Science |
| url | https://arxiv.org/abs/2411.13665 |