High-throughput first-principles investigation on grain boundary segregation of alloying elements in ferritic steel

By employing high-throughput first-principles calculations, the segregation capacity of fifteen widely used metallic alloying elements (viz., Be, Mn, Co, Cr, Ni, Al, Mo, W, Mg, Ta, Nb, Sb, Sn, Zr, and Bi) at ∑3 grain boundary in low alloy ferritic steel, as well as their impact on grain boundary sta...

Full description

Bibliographic Details
Main Authors: Mengmeng Yang, Jiaying Zhou, Haijun Huang, Shuo Cao, Qing-Miao Hu, Wei Li, Qingjun Chen, Yanxin Qiao, Hao Wang
Format: Article
Language:English
Published: Elsevier 2023-09-01
Series:Journal of Materials Research and Technology
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785423018604