Effect of composition on antiphase boundary energy in Ni3Al based alloys: Ab initio calculations

被引：56

作者：

Gorbatov, O. I. ^{[1
,2
,3
]}

Lomaev, I. L. ^{[1
,4
,5
]}

Gornostyrev, Yu. N. ^{[1
,4
,5
]}

Ruban, A. V. ^{[2
,6
]}

Furrer, D. ^{[7
]}

Venkatesh, V. ^{[7
]}

Novikov, D. L. ^{[8
]}

Burlatsky, S. F. ^{[8
]}

机构：

[1] Inst Quantum Mat Sci, Ekaterinburg 620107, Russia

[2] KTH Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden

[3] Nosov Magnitogorsk State Tech Univ, Magnitogorsk 455000, Russia

[4] Sci Technol LLC, Leninskiy Pr T 95, Moscow 119313, Russia

[5] RAS, Ural Div, Inst Met Phys, Ekaterinburg 620219, Russia

[6] Mat Ctr Leoben Forsch GmbH, A-8700 Leoben, Austria

[7] Pratt & Whitney, 400 Main St, E Hartford, CT 06108 USA

[8] United Technol Res Ctr, 411 Silver Lane, E Hartford, CT 06108 USA

来源：

PHYSICAL REVIEW B | 2016年 / 93卷 / 22期

关键词：

SITE PREFERENCE; DEFORMATION MICROSTRUCTURE; STACKING-FAULTS; ANOMALOUS FLOW; L1(2); TEMPERATURE; TRANSITION; BINARY; PHASE; 1ST-PRINCIPLES;

D O I：

10.1103/PhysRevB.93.224106

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The effect of composition on the antiphase boundary (APB) energy of Ni-based L1(2)-ordered alloys is investigated by ab initio calculations employing the coherent potential approximation. The calculated APB energies for the {111} and {001} planes reproduce experimental values of the APB energy. The APB energies for the nonstoichiometric gamma' phase increase with Al concentration and are in line with the experiment. The magnitude of the alloying effect on the APB energy correlates with the variation of the ordering energy of the alloy according to the alloying element's position in the 3d row. The elements from the left side of the 3d row increase the APB energy of the Ni-based L1(2)-ordered alloys, while the elements from the right side slightly affect it except Ni. The way to predict the effect of an addition on the {111} APB energy in a multicomponent alloy is discussed.

引用

页数：8

共 50 条

[1] Prediction of the effect of Ti on the (111) and (100) antiphase boundary energy in Ni3Al
Wang, HP
Sluiter, M
Kawazoe, Y
[J]. MATERIALS TRANSACTIONS JIM, 1999, 40 (11): : 1301 - 1305
[2] Modelling ternary effects on antiphase boundary energy of Ni3Al
Vamsi, K. V.
Karthikeyan, S.
[J]. EUROSUPERALLOYS 2014 - 2ND EUROPEAN SYMPOSIUM ON SUPERALLOYS AND THEIR APPLICATIONS, 2014, 14
[3] The annihilation of antiphase boundary tubes and their effect on strengthening in Ni3Al
Osmundsen, Rachel
Baker, Ian
[J]. ACTA MATERIALIA, 2022, 237
[4] RELAXATION OF ANTIPHASE BOUNDARY TUBES IN NI3AL
NGAN, AHW
[J]. PHILOSOPHICAL MAGAZINE LETTERS, 1994, 70 (03) : 121 - 128
[5] Ab initio electronic structure calculations of the Σ5(210)[001] tilt grain boundary in Ni3Al
Lu, G
Kioussis, N
[J]. POLYCRYSTALLINE THIN FILMS - STRUCTURE, TEXTURE, PROPERTIES AND APPLICATIONS III, 1997, 472 : 21 - 26
[6] The formation of antiphase-boundary tubes in Ni3Al
Shi, XL
Saada, G
Veyssiere, P
[J]. PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1996, 73 (04): : 1159 - 1171
[7] Effects of intrinsic point defects on antiphase boundary energy of γ′-Ni3Al from first-principles calculations
Hu, Peng
Zhao, Wenyue
Ru, Yi
Pei, Yanling
Li, Shusuo
Xu, Huibin
[J]. JOURNAL OF MATERIALS SCIENCE, 2022, 57 (27) : 12916 - 12928
[8] Effects of intrinsic point defects on antiphase boundary energy of γ'-Ni3Al from first-principles calculations
Peng Hu
Wenyue Zhao
Yi Ru
Yanling Pei
Shusuo Li
Huibin Xu
[J]. Journal of Materials Science, 2022, 57 : 12916 - 12928
[9] Ab initio calculations of elastic properties of Ni3Al and TiAl under pressure
Sot, R
Kurzydlowski, KJ
[J]. MATERIALS SCIENCE-POLAND, 2005, 23 (03): : 587 - 590
[10] The effect of composition and temperature on grain boundary diffusion of 63Ni in Ni3Al alloys
Frank, S
Herzig, C
[J]. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 1997, 240 : 882 - 888

← 1 2 3 4 5 →