About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
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Symposium
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Advances and Discoveries in Non-equilibrium Driven Nanomaterials and Thin Films
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Presentation Title |
Correlating Properties of Irradiation Produced Nanoscale Superlattices with Irradiation Condition Parameters by Combining Rate Theory and Kinetic Monte Carlo Simulations |
Author(s) |
Anton Schneider, Yongfeng Zhang, Chao Jiang, Jian Gan |
On-Site Speaker (Planned) |
Anton Schneider |
Abstract Scope |
Void superlattices have been known to form in materials under irradiation for decades. Although the exact mechanisms of such lattice ordering remain debated, recent theoretical and experimental studies have clarified the critical roles of one-dimensional self-interstitial atoms (SIAs) diffusion and irradiation condition. Following the modeling approach developed in earlier works, the present study aims at providing a deeper understanding of the dependance of several key superlattice properties on irradiation conditions, by combining rate theory and kinetic Monte-Carlo simulations. The results show that key superlattice properties such as the lattice constant, the ordering, the critical dose of formation and the formation temperature window correlate strongly with irradiation dose rate, temperature, the degree of anisotropy of SIAs diffusion, and the presence of inert gas, and weakly with sink density. The correlations elucidated in this study provide deeper insights regarding superlattice formation and constitute a valuable step towards the development of tailor-made meta-materials. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, |