TY - JOUR
T1 - Effects of alloying elements on stacking fault energies and electronic structures of binary Mg alloys
T2 - A first-principles study
AU - Wang, William Yi
AU - Shang, Shun Li
AU - Wang, Yi
AU - Mei, Zhi Gang
AU - Darling, Kristopher A.
AU - Kecskes, Laszlo J.
AU - Mathaudhu, Suveen N.
AU - Hui, Xi Dong
AU - Liu, Zi Kui
N1 - Publisher Copyright:
© 2013 The Author(s).
PY - 2014
Y1 - 2014
N2 - The growth, deformation, and extrinsic faults in binary Mg–X alloys are investigated via first-principles calculations. Here, the alloying elements X include Al, Ca, Cu, Fe, K, La, Li, Mn, Na, Nd, Pr, Si, Sn, Sr, Y, Zn, and Zr. In addition to stacking fault energies, the effect of the elements on the bond structure of Mg are studied in term of electron localization morphology. It is observed that rod like directional bonds in non-fault planes transform into tetrahedral morphologies in fault planes and are strengthened by addition of Zn and Al, but weakened by Na.
AB - The growth, deformation, and extrinsic faults in binary Mg–X alloys are investigated via first-principles calculations. Here, the alloying elements X include Al, Ca, Cu, Fe, K, La, Li, Mn, Na, Nd, Pr, Si, Sn, Sr, Y, Zn, and Zr. In addition to stacking fault energies, the effect of the elements on the bond structure of Mg are studied in term of electron localization morphology. It is observed that rod like directional bonds in non-fault planes transform into tetrahedral morphologies in fault planes and are strengthened by addition of Zn and Al, but weakened by Na.
KW - Alloying elements
KW - First-principles calculations
KW - Magnesium alloys
KW - Stacking faults
UR - https://www.scopus.com/pages/publications/85011854255
U2 - 10.1080/21663831.2013.858085
DO - 10.1080/21663831.2013.858085
M3 - 文章
AN - SCOPUS:85011854255
SN - 2166-3831
VL - 2
SP - 29
EP - 36
JO - Materials Research Letters
JF - Materials Research Letters
IS - 1
ER -