Alloying effects on the stacking fault energy in austenitic stainless steels from first-principles theory

被引：222

作者：

Vitos, L.

Nilsson, J. -O. ^{[1
]}

Johansson, B.

机构：

[1] AB Sandvik Mat Technol, R&D Ctr, SE-81181 Sandviken, Sweden

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

[3] Uppsala Univ, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden

[4] Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary

[5] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden

[6] Univ Gothenburg, SE-41296 Gothenburg, Sweden

来源：

ACTA MATERIALIA | 2006年 / 54卷 / 14期

基金：

匈牙利科学研究基金会;

关键词：

stacking fault energy; austenitic stainless steel; ab initio calculations;

D O I：

10.1016/j.actamat.2006.04.013

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The stacking fault energy (SFE) of austenitic stainless steels has been determined using a quantum mechanical first-principles approach. We identify the electronic, magnetic and volume effects responsible for the compositional dependence of the SFE. We find that both the alloying element and the composition of the host material are important for understanding the alloying effects. Our results show that no simple and universally valid composition equations exist for the SEE. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：3821 / 3826

页数：6

共 46 条

[1]

Andersen O.K., 1994, Lectures on Methods of Electronic Structure Calculation, Engineering Materials and Processes

[2]

[Anonymous], 1963, CORROSION-US

[3] STACKING-FAULT ENERGY MEASUREMENTS IN SOME AUSTENITIC STAINLESS-STEELS [J].

BAMPTON, CC ;

JONES, IP ;

LORETTO, MH .

ACTA METALLURGICA, 1978, 26 (01) :39-51

[4] EFFECT OF CARBON ON STACKING-FAULT ENERGY OF AUSTENITIC STAINLESS-STEELS [J].

BROFMAN, PJ ;

ANSELL, GS .

METALLURGICAL TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 1978, 9 (06) :879-880

[5]

BRREDIS JF, 1964, T METALL SOC AIME, V230, P1583

[6] INTER-LAYER INTERACTIONS AND THE ORIGIN OF SIC POLYTYPES [J].

CHENG, C ;

NEEDS, RJ ;

HEINE, V .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (06) :1049-1063

[7] DEFECT ENERGETICS IN ALUMINUM [J].

DENTENEER, PJH ;

SOLER, JM .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1991, 3 (45) :8777-8792

[8] STACKING-FAULT ENERGIES IN SEMICONDUCTORS FROM 1ST-PRINCIPLES CALCULATIONS [J].

DENTENEER, PJH ;

VANHAERINGEN, W .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1987, 20 (32) :L883-L887

[9] Iron-silica interaction at extreme conditions and the electrically conducting layer at the base of Earth's mantle [J].

Dubrovinsky, L ;

Dubrovinskaia, N ;

Langenhorst, F ;

Dobson, D ;

Rubie, D ;

Gessmann, C ;

Abrikosov, IA ;

Johansson, B ;

Baykov, VI ;

Vitos, L ;

Le Bihan, T ;

Crichton, WA ;

Dmitriev, V ;

Weber, HP .

NATURE, 2003, 422 (6927) :58-61

[10]

EPTROV YN, 1985, PHYS MET METALLOGR, V6, P735

← 1 2 3 4 5 →