October 2018: Dr Reza Mahjoub: "General trends between solute segregation tendency and grain boundary character in aluminum - An ab inito study"

October 2018: Dr Reza Mahjoub: "General trends between solute segregation tendency and grain boundary character in aluminum - An ab inito study"

“A key to crack the encrypted grain boundary enigma in aluminium”

Grain boundaries (GBs) are planar defects ever-present in metals and ceramics, forming irregular network of structures which fill the space. They can either weaken or strengthen polycrystalline metallic alloys. Unlike point defects, GBs are not equilibrium defects, and so the question as to which grain boundary in the presence of what solute may weaken, or strengthen the alloy, or if at all, the segregated GB is in a stable phase, remains an enigma to be cracked. Our quantum mechanical calculations show that Segregation Energy can lead the way to crack the enigma of GB character.

Read the full paper, as published in Acta Materialia Volume 158, 1 October 2018, Pages 257-268 (2018).