Twinnability of Al-Mg alloys: A first-principles interpretation

被引:6
作者
Zhao, Dong-dong [1 ]
Lovvik, Ole Martin [2 ]
Marthinsen, Knut [1 ]
Li, Yan-jun [1 ]
机构
[1] Norwegian Univ Sci & Technol NTNU, Dept Mat Sci & Engn, N-7491 Trondheim, Norway
[2] SINTEF Mat & Chem, N-0314 Oslo, Norway
关键词
generalized planar fault energy; intrinsic stacking fault energy; Suzuki segregation; Mg; vacancy; Al-Mg alloys; TOTAL-ENERGY CALCULATIONS; PLANAR FAULT ENERGY;
D O I
10.1016/S1003-6326(17)60152-3
中图分类号
TF [冶金工业];
学科分类号
0806 ;
摘要
Al-Mg alloys are considered to have potentials to form twins during deformation because Mg can reduce the intrinsic stacking fault energy. gamma(ISFE) of Al. Nevertheless, twinning has rarely been found in Al-Mg alloys even subjected to various severe plastic deformation (SPD) techniques. In order to probe the twinning propensity of Al-Mg alloys, first-principles calculations were carried out to investigate the effects of Mg and vacancies on the generalized planar fault energy (GPFE) of Al. It is found that both Mg and vacancies exhibit a Suzuki segregation feature to the stacking fault, and have the influence of decreasing the. gamma(ISFE) of Al. However,. gamma(ISFE) does not decrease and the twinnability parameter tau(a) of Al does not increase monotonically with increasing Mg concentration in the alloy. On the basis of ta evaluated from the calculated GPFE of Al-Mg alloys, we conclude that deformation twinning is difficult for Al-Mg alloys even with a high content of Mg. Besides, the decrease of. gamma(ISFE) caused by the introduction of Mg and vacancies is supposed to have the effect of improving the work-hardening rate and facilitating the formation of band structures in Al-Mg alloys subjected to SPD.
引用
收藏
页码:1313 / 1318
页数:6
相关论文
共 20 条
[1]   Effect of vacancy defects on generalized stacking fault energy of fcc metals [J].
Asadi, Ebrahim ;
Zaeem, Mohsen Asle ;
Moitra, Amitava ;
Tschopp, Mark A. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2014, 26 (11)
[2]   IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS [J].
BLOCHL, PE ;
JEPSEN, O ;
ANDERSEN, OK .
PHYSICAL REVIEW B, 1994, 49 (23) :16223-16233
[3]   Relationship between monolayer stacking faults and twins in nanocrystals [J].
Hunter, A. ;
Beyerlein, I. J. .
ACTA MATERIALIA, 2015, 88 :207-217
[4]   Formation of incoherent deformation twin boundaries in a coarse-grained Al-7Mg alloy [J].
Jin, S. B. ;
Zhang, K. ;
Bjorge, R. ;
Tao, N. R. ;
Marthinsen, K. ;
Lu, K. ;
Li, Y. J. .
APPLIED PHYSICS LETTERS, 2015, 107 (09)
[5]   Generalized planar fault energies and twinning in Cu-Al alloys [J].
Kibey, S. ;
Liu, J. B. ;
Johnson, D. D. ;
Sehitoglu, H. .
APPLIED PHYSICS LETTERS, 2006, 89 (19)
[6]   Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186
[7]   Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50
[8]   The connection between recovery and glide type in aluminum and Al-Mg [J].
Kuhlmann-Wilsdorf, D .
ALUMINIUM ALLOYS: THEIR PHYSICAL AND MECHANICAL PROPERTIES, PTS 1-3, 2000, 331-3 :689-702
[9]   Temperature effects on the generalized planar fault energies and twinnabilities of Al, Ni and Cu: First principles calculations [J].
Liu, Lili ;
Wang, Rui ;
Wu, Xiaozhi ;
Gan, Liyong ;
Wei, Qunyi .
COMPUTATIONAL MATERIALS SCIENCE, 2014, 88 :124-130
[10]   Generalized-stacking-fault energy surface and dislocation properties of aluminum [J].
Lu, G ;
Kioussis, N ;
Bulatov, VV ;
Kaxiras, E .
PHYSICAL REVIEW B, 2000, 62 (05) :3099-3108