TY - JOUR
T1 - Strength and ductility of niobium alloys with nonmetallic elements
T2 - A first-principles study
AU - Shi, Songxin
AU - Zhu, Linggang
AU - Zhang, Hu
AU - Sun, Zhimei
N1 - Publisher Copyright:
© 2017
PY - 2017/2/15
Y1 - 2017/2/15
N2 - Nonmetallic elements C, H, N, O and Si which normally are introduced into the metallic matrix unintentionally, usually have significant effects on the mechanical properties of alloys, which, however, is unclear for niobium. Hardness and ductility are two important properties for alloys, which can be characterized by the unstable stacking fault energy γus and the ratio between surface energy γs and γus, respectively. In this study, by using first-principles calculation, we find that C, N, O and H decrease the hardness and ductility of niobium. On the other hand, minor alloying of Si in niobium can improve the hardness and show excellent ductilization capability.
AB - Nonmetallic elements C, H, N, O and Si which normally are introduced into the metallic matrix unintentionally, usually have significant effects on the mechanical properties of alloys, which, however, is unclear for niobium. Hardness and ductility are two important properties for alloys, which can be characterized by the unstable stacking fault energy γus and the ratio between surface energy γs and γus, respectively. In this study, by using first-principles calculation, we find that C, N, O and H decrease the hardness and ductility of niobium. On the other hand, minor alloying of Si in niobium can improve the hardness and show excellent ductilization capability.
KW - First-principles calculation
KW - Mechanical properties
KW - Metals and alloys
KW - Simulation and modelling
KW - Stacking fault energy
UR - https://www.scopus.com/pages/publications/85008423021
U2 - 10.1016/j.matlet.2016.11.011
DO - 10.1016/j.matlet.2016.11.011
M3 - 文章
AN - SCOPUS:85008423021
SN - 0167-577X
VL - 189
SP - 310
EP - 312
JO - Materials Letters
JF - Materials Letters
ER -