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Misra, Mano

Publications and source records attributed to Misra, Mano.

13 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Grain boundary relaxation in doped nano-grained aluminum

Here, simulation studies are done to understand the role of dopants that segregate preferentially to grain boundaries on the stability of nanocrystalline aluminum. A dopant design framework based on thermodynamic principles, is used to identify the specific dopant type with the highest potential to segregate to grain boundaries in nanocrystalline aluminum. Various elements are evaluated as potential dopants and magnesium is identified to have the highest tendency to segregate to grain boundaries and release the excess free energyleading to the relaxation of the grain boundaries. A systematic combination of atomic structure analysis is then done to correlate grain boundary relaxation and the mechanical response of the magnesium-doped nanocrystalline aluminum at ambient temperature. The atomistic simulations reveal that the preferential partitioning of magnesium dopants to the grain boundaries reduces the excess volume within this region which stabilizes the nanostructure. At low contents, the magnesium dopants are observed initially partition to the grain boundaries, but once saturation of the grain boundaries is reached, excess dopants are accommodated in the crystalline interiors. It is found that the addition of the magnesium dopants even in the dilute limit, enhances the strength of the nanocrystalline aluminum. The formation of large, disordered GBs in doped nanocrystalline aluminum under tensile load allowed it to accommodate the deformation and prohibit crack growth.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermodynamic stabilization of nanocrystalline aluminum

Nanocrystalline metals are generally unstable due to a large volume fraction of high-energy grain boundaries associated with a small grain size. Preferential dopant segregation to the high-energy grain boundaries is observed to enhance the stability of the material’s microstructure by minimizing its energy. Nanocrystalline aluminum-dopant systems were evaluated for thermodynamic stability against grain growth and phase precipitation via the mechanism of grain boundary segregation according to a modified regular nanocrystalline solution model. Fifty-one potential dopant elements have been evaluated for their efficacy in stabilizing nanostructures with three potential candidates, magnesium, lanthanum, and silicon, identified possessing the characteristics to promote grain boundary segregation and a state of thermodynamic stability in aluminum’s nanocrystalline regime. Here, the minimum dopant content required to achieve nanocrystalline microstructure stability is identified for each of the three candidate elements. Beyond this minimum content, further addition of the dopant elements decreased the final microstructure’s stability with no effects on the existence of a stable nanocrystalline state.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Dissimilar Metal Weld Joints of P91/Ni Alloy: Microstructural Characterization of HAZ of P91 and Stress Analysis at the Weld Interfaces

Microstructure evolution and hardness were evaluated at the interface of two friction-welded transition joints between P91 and AISI 304 fabricated applying Inconel interlayers, viz. single-interlayer weld (P91/IN600/AISI304) and three-interlayer weld (P91/IN625/IN600/IN800H/AISI304). The welds were subjected to post-weld heat treatment at 1023 K for 1 h followed by air cooling and a long-term exposure at 973 K for 100, 250, and 500 h. A soft zone with the absence of lath martensite was noticed in both the welds which was located at the intercritical heat-affected zone of the welds. This zone was found to be extending with time toward the fine grain heat-affected zone by carbide precipitation and coarsening at the grain boundaries. Soft zone formation at the interface of the welds was found to be due to carbon diffusion. The presence of high-nickel-content alloy at the interface was proven to be beneficial in stopping carbon diffusion at the interface. Though soft zones existed in both the welds, better creep rupture life was observed for three-interlayer welds. Finite element analysis of these weld joints was performed for thermal loading followed by tensile loading. The results from this analysis indicated that thermal expansion also plays an important role in the failures of these dissimilar weld joints by creating high stress at the interface due to incompatibility.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Final Report

The objectives included: Develop high efficiency metal oxide nanotubular array photo-anodes for generating hydrogen by water splitting; Develop density functional theory to understand the effect of the morphology of the nanotubes on the photo-electrochemical (PEC) properties of the photo-anodes; Develop kinetics and formation mechanism of the metal oxide nanotubes under different synthesis conditions; Develop combinatorial approach to prepare hybrid photo-anodes having multiple hetero-atoms incorporation in a single photo anode; Improve the durability of the material; and Scale up the laboratory demonstration to production unit.

08 HYDROGEN↗