Y. Purohit

First-principles-based mesoscale modeling of the solute-induced stabilization of < 1 0 0 > tilt grain boundaries in an Al-Pb alloy

First-principles-based mesoscale modeling of the solute-induced stabilization of < 1 0 0 > tilt grain boundaries in an Al-Pb alloy. Acta Materialia, 59(18), 7022–7028.

Computational study of the impurity induced reduction of grain boundary energies in nano- and bi-crystalline Al-Pb alloys

Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing, 527(7-8), 1769–1775.

Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid

Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing, 493(1-2), 97–100.

Influence of Pb segregation on the deformation of nanocrystalline Al: Insights from molecular simulations

Acta Materialia, 56(17), 4750–4761.

Molecular dynamics simulations of deformation in nanocrystalline Al-Pb alloys

Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing, 493(1-2), 53–57.

Prediction of Energies of <100> Tilt Boundaries in Al-Pb Alloy

Materials Research Society Symposium Proceedings, 1056E, 1056–HH01-105610.