A comparison of the ideal strength between L12Co3(Al,W) and Ni3Al under tension and shear from first-principles calculations

被引：69

作者：

Wang, Yun-Jiang ^{[1
]}

Wang, Chong-Yu ^{[1
,2
]}

机构：

[1] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China

[2] Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2009年 / 94卷 / 26期

关键词：

ab initio calculations; aluminium alloys; cobalt alloys; ductility; elastic moduli; electronic structure; nickel alloys; shear strength; stress-strain relations; tungsten alloys; W-BASE ALLOYS;

D O I：

10.1063/1.3170752

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The ideal strengths of L1(2)Co(3)(Al,W) in comparison with Ni3Al are investigated using the first-principles method. Results for the stress-strain relationships, ideal tensile and shear strengths are presented. The calculated elastic properties agree well with the experimental observations. Co-3(Al,W) is found to have larger moduli and higher strengths, but less ductile than Ni3Al. The electronic structures indicate the directional covalentlike Co-W bonding through d-d hybridization is the origin of excellent mechanical properties of Co-3(Al,W).

引用

页数：3

共 17 条

[1] THE ELASTIC BEHAVIOUR OF A CRYSTALLINE AGGREGATE [J].

HILL, R .

PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1952, 65 (389) :349-355

[2] From ultrasoft pseudopotentials to the projector augmented-wave method [J].

Kresse, G ;

Joubert, D .

PHYSICAL REVIEW B, 1999, 59 (03) :1758-1775

[3] AB-INITIO MOLECULAR-DYNAMICS FOR OPEN-SHELL TRANSITION-METALS [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1993, 48 (17) :13115-13118

[4]

Mehl M.J., 1994, Intermetallic Compounds, VI, P195

[5] Mechanical properties of Co-based L12 intermetallic compound Co3(Al,W) [J].

Miura, Seiii ;

Ohkubo, Kenji ;

Mohri, Tetsuo .

MATERIALS TRANSACTIONS, 2007, 48 (09) :2403-2408

[6] First-principles approaches to intrinsic strength and deformation of materials: perfect crystals, nano-structures, surfaces and interfaces [J].

Ogata, Shigenobu ;

Umeno, Yoshitaka ;

Kohyama, Masanori .

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2009, 17 (01)

[7] Nickel-based superalloys for advanced turbine engines: Chemistry, microstructure, and properties [J].

Pollock, TM ;

Tin, S .

JOURNAL OF PROPULSION AND POWER, 2006, 22 (02) :361-374

[8] RELATIONS BETWEEN THE ELASTIC MODULI AND THE PLASTIC PROPERTIES OF POLYCRYSTALLINE PURE METALS [J].

PUGH, SF .

PHILOSOPHICAL MAGAZINE, 1954, 45 (367) :823-843

[9] Ideal shear strengths of fcc aluminum and copper [J].

Roundy, D ;

Krenn, CR ;

Cohen, ML ;

Morris, JW .

PHYSICAL REVIEW LETTERS, 1999, 82 (13) :2713-2716

[10] The ideal strength of tungsten [J].

Roundy, D. (jwmorris@uclink4.berkeley.edu), 1725, Taylor and Francis Ltd. (81)

← 1 2 →