High-throughput computing for screening the potential alloying elements of a 7xxx aluminum alloy for increasing the alloy resistance to stress corrosion cracking

In this study, a high-throughput calculation algorithm was compiled for screening the potential alloying elements that can increase the resistance of Al alloy to stress corrosion cracking (SCC). Studies show that the precipitation rate of ?/?? phase at the GBs increased by 53 times due to hot rolling. The ?/?? phase distribution at GBs decreased the dislocation density by an order of magnitude, which makes the GBs sensitive to SCC. To compensate for these weak sites, the algorithm was utilized to determine the stabilities, diffusion energy barriers, and GB cohesive energy of all elements in the Al.

Automated summary

This study compiled a high-throughput calculation algorithm to screen potential alloying elements that can enhance the resistance of Al alloys to stress corrosion cracking (SCC). It was found that the distribution of ?/?? phase at grain boundaries significantly affected the sensitivity of grain boundaries to SCC, highlighting the importance of understanding the role of alloying elements in enhancing the resistance of Al alloys to SCC.