Works (6)
2011 article
First-principles-based mesoscale modeling of the solute-induced stabilization of 〈1 0 0〉 tilt grain boundaries in an Al–Pb alloy
Purohit, Y., Sun, L., Shenderova, O., Scattergood, R. O., & Brenner, D. W. (2011, August 19). Acta Materialia.
2009 article
Computational study of the impurity induced reduction of grain boundary energies in nano- and bi-crystalline Al–Pb alloys
Purohit, Y., Sun, L., Irving, D. L., Scattergood, R. O., & Brenner, D. W. (2009, November 21). Materials Science and Engineering A.
2008 article
Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid
Purohit, Y., Jang, S., Irving, D. L., Padgett, C. W., Scattergood, R. O., & Brenner, D. W. (2008, January 7). Materials Science and Engineering A.
2008 article
Influence of Pb segregation on the deformation of nanocrystalline Al: Insights from molecular simulations
Jang, S., Purohit, Y., Irving, D. L., Padgett, C., Brenner, D., & Scattergood, R. O. (2008, June 23). Acta Materialia.
2008 journal article
Prediction of Energies of <100> Tilt Boundaries in Al-Pb Alloy
Materials Research Society Symposium Proceedings, 1056E, 1056–HH01-105610.
2007 article
Molecular dynamics simulations of deformation in nanocrystalline Al–Pb alloys
Jang, S., Purohit, Y., Irving, D., Padgett, C., Brenner, D., & Scattergood, R. O. (2007, December 18). Materials Science and Engineering A.