Atomistic simulations to reveal HIP-bonding mechanisms of Al6061/Al6061

Roy, Ankit; Kalsar, Rajib; Song, Miao; Joshi, Vineet V.

doi:10.1016/j.actamat.2024.120402

Atomistic simulations to reveal HIP-bonding mechanisms of Al6061/Al6061

Journal Article · Fri Sep 13 00:00:00 EDT 2024 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2024.120402· OSTI ID:2506690

^[1]; Kalsar, Rajib ^[1]; ^[1]; ^[1]

Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Molecular dynamics simulations were employed to understand the diffusion bonding process during hot isostatic pressing (HIP) of Al6061/Al6061 alloy. Simulations of the HIP process reveal atomistic phenomena that are difficult or unlikely to be observed experimentally and provide useful insights into the mechanism of diffusion and bonding. Here, the results reveal that at the start of the HIP process, a massive incursion of oxygen atoms occurs from the pre-existing γ-Al₂O₃ to the 6061 region across the interphase interface. These oxygen atoms interact with the enriched Mg atom layer present at the existing γ-Al₂O₃ and 6061 matrix to form a secondary complex Mg₂Al₂O₅ phase. Diffusion calculations also show that transport of atoms due to the applied pressure is 4–5 orders of magnitude higher than would occur in the absence of HIP conditions. The Mg₂Al₂O₅ phase also provides efficient pathways for the rapid transport of Mg atoms. Because of the higher diffusion coefficients observed for Mg within the phase, Mg atoms can move more swiftly compared to their diffusion within other phases such as γ-Al₂O₃. This accelerated mobility facilitates the rapid movement of Mg atoms across the interface, leading to changes in the local composition and the potential growth of the Mg₂Al₂O₅ phase.

View Accepted Manuscript (DOE)

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2506690

Report Number(s):: PNNL-SA--196459

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 281; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
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