First-principles approaches and models for crystal defect energetics in metallic alloys

YJ Hu - Computational Materials Science, 2023 - Elsevier
Many physical and mechanical properties of metallic alloys are sensitive to the formation
and migration of crystal defects such as vacancies, dislocations, stacking faults, and grain …

Atomistic Study of the Interaction Nature of H-Dislocation and the Validity of Elasticity in Bcc Iron

Y Zheng, P Yu, L Zhang - Metals, 2023 - mdpi.com
One way to assess the validity of elasticity is with the method of atomic simulations.
Molecular statics (MS) simulations are performed to study the interactions between H and …

Investigation of solid solution effects on texture and dislocation activity in wrought lean-alloyed ternary Mg-Al-Ca alloys

WJ Delis, HJ Springer, S Korte-Kerzel - 2024 - publications.rwth-aachen.de
Die Entwicklung von hochfesten und duktilen Mg-Legierungen ist aufgrund der
Leichtbaueigenschaften von Mg, die es in Branchen wie der Automobil-und …