BARC/PUB/2022/0423

 
 

Shock compression, melting and impedance mismatch studies in Al3Li based on first principles

 
     
 
Author(s)

Gorai, S.; Bhattacharya, C.
(ThPS)

Source

Computational Condensed Matter, 2022. Vol. 32: pp. 1-10: Article no. e00719

ABSTRACT

Al-Li alloys have several advantages over conventional Al alloys on account of their properties such as low mass density and high strength. 𝛿′ −𝐴𝑙3𝐿𝑖 phase is considered to be the most important strengthening phase in Al-Li alloys. In the present study, we predicted the shock induced compression of 𝛿′ − 𝐴𝑙3𝐿𝑖 for the first time. Our simulations indicated that shock induced melting was expected to occur in 𝛿′ −𝐴𝑙3𝐿𝑖 at ∼ 80 GPa. Hence, structural and mechanical stability of 𝛿′ − 𝐴𝑙3𝐿𝑖 were established up to 80 GPa using ab-initio methods. Firstprinciples calculations were done to obtain the parameters required for modelling equation-of-state of 𝐴𝑙3𝐿𝑖. Further, impedance mismatch (IM) simulations were performed on bilayer targets (𝐴𝑙3𝐿𝑖-𝐴𝑒 and Al-Au). It was observed from the simulations that use of 𝐴𝑙3𝐿𝑖 instead of Al led to ∼ 9% higher shock pressure amplification in Au. The ultimate tensile strength at which 𝐴𝑙3𝐿𝑖 ruptures was estimated and found to be ∼ 10.57 GPa. It was also observed that, 𝐴𝑙3𝐿𝑖 becomes ductile at high pressures beyond 60 GPa. Our study corroborates the use of Al-Li alloys which contain a huge volume fraction of 𝐴𝑙3𝐿𝑖 phase, as a structural material in place of Al in shock studies.

 
 
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