TY - JOUR
T1 - Competitive segregation to grain boundaries between Cr and Co in FeNiCrCo alloy
AU - Zhang, Weiwei
AU - Huang, Li
AU - Liang, Jing
AU - Li, Yanchao
AU - Bai, Wei
AU - Jiao, Benqi
AU - Kan, Dongxiao
AU - Li, Jianfeng
AU - Zhang, Wen
N1 - Publisher Copyright:
© 2024 John Wiley & Sons Ltd.
PY - 2024/8
Y1 - 2024/8
N2 - Alloying elements segregating to grain boundaries (GBs) is vital in determining structural stability and mechanical properties of alloys, especially in high-entropy alloys (HEAs) that consist of multiple elements. However, some details remain unclear, such as the process of varied atoms (Cr and Co) cosegregation to GBs in FeNiCrCo alloy. Therefore, the competition and cooperation between Fe, Ni, Cr, and Co atoms segregating to GBs of FeNiCrCo alloy were investigated via molecular dynamic (MD) simulation. Five [110] symmetric tilt GBs of FeNiCrCo were applied to study the relation between the tendency of atomic segregation especially Cr and Co and GB characters including GB energy and GB excess free volume (GB excess volume). A competitive segregation phenomenon between Cr and Co atoms was discovered, which could be dominated by GB excess volume and different atomic radii among components.
AB - Alloying elements segregating to grain boundaries (GBs) is vital in determining structural stability and mechanical properties of alloys, especially in high-entropy alloys (HEAs) that consist of multiple elements. However, some details remain unclear, such as the process of varied atoms (Cr and Co) cosegregation to GBs in FeNiCrCo alloy. Therefore, the competition and cooperation between Fe, Ni, Cr, and Co atoms segregating to GBs of FeNiCrCo alloy were investigated via molecular dynamic (MD) simulation. Five [110] symmetric tilt GBs of FeNiCrCo were applied to study the relation between the tendency of atomic segregation especially Cr and Co and GB characters including GB energy and GB excess free volume (GB excess volume). A competitive segregation phenomenon between Cr and Co atoms was discovered, which could be dominated by GB excess volume and different atomic radii among components.
KW - grain boundary energy
KW - grain boundary excess free volume
KW - grain boundary segregation
KW - high-entropy alloys
KW - molecular dynamic simulation
UR - http://www.scopus.com/inward/record.url?scp=85190423687&partnerID=8YFLogxK
U2 - 10.1002/sia.7307
DO - 10.1002/sia.7307
M3 - 文章
AN - SCOPUS:85190423687
SN - 0142-2421
VL - 56
SP - 515
EP - 524
JO - Surface and Interface Analysis
JF - Surface and Interface Analysis
IS - 8
ER -