Ab initio analysis of Guinier-Preston-Bagaryatsky zone nucleation in Al-Cu-Mg alloys

被引：42

作者：

Kovarik, L. ^{[1
]}

Mills, M. J. ^{[2
]}

机构：

[1] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA

[2] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA

来源：

ACTA MATERIALIA | 2012年 / 60卷 / 09期

关键词：

Aluminum alloys; Nucleation of phase transformations; Metastable phases; Density functional; AGED AL-CU-MG-(AG) ALLOYS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; POSITRON-ANNIHILATION; ULTRASOFT PSEUDOPOTENTIALS; ALUMINUM-ALLOYS; PRECIPITATION; EVOLUTION; KINETICS; COMPLEX;

D O I：

10.1016/j.actamat.2012.03.044

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Due to the inherit difficulties associated with microstructure characterization in the early stages of aging, the origin of rapid hardening in Al-Cu-Mg alloys remains a poorly understood and controversial issue. This work addresses the precipitation processes in the early stages by ab initio modeling of Guinier-Preston-Bagaryatsky (GPB) zone nucleation. We derive the structural nature of GPB zone nuclei and establish that the nucleation starts with 1D-GPB(1) crystals, which represent thermodynamically stable configurations at the size scale previously associated only with solute clusters. It is also established that the 1D-GPB(1) can form very rapidly due a simple structural transition from face-centered-cubic-based configurations (clusters). The formation of GPB zones in the early stages of aging is validated by comparison with previous experimental measurements. Based on previous experimental evidence, it is postulated that GPB zones rather than solute clusters may be able to rationalize the rapid hardening in the Al-Cu-Mg alloys. (C) 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：3861 / 3872

页数：12

共 35 条

[1]

Alekseev AA, 1979, PHYS MET METALLOGR, V46, P80

[2]

[Anonymous], INT TABLES CRYSTALLO

[3]

Bagaryatsky Yu.A., 1952, DOKL AKAD NAUK+, V87, P559

[4] 63Cu NMR analysis of microstructure evolution in Al-Cu-Mg alloys [J].

Bastow, TJ .

PHILOSOPHICAL MAGAZINE, 2005, 85 (10) :1053-1066

[5] Influence of the ageing realization scheme on the phase transformations and properties of commercial aluminium alloys. [J].

Ber, LB ;

Davydov, VG .

ALUMINUM ALLOYS 2002: THEIR PHYSICAL AND MECHANICAL PROPERTIES PTS 1-3, 2002, 396-4 :983-988

[6] In situ evaluation of the microstructure evolution during rapid hardening of an Al-2.5Cu-1.5Mg (wt.%) alloy [J].

Deschamps, A. ;

Bastow, T. J. ;

de Geuser, F. ;

Hill, A. J. ;

Hutchinson, C. R. .

ACTA MATERIALIA, 2011, 59 (08) :2918-2927

[7] Diffusion coefficients of some solutes in fcc and liquid Al: critical evaluation and correlation [J].

Du, Y ;

Chang, YA ;

Huang, BY ;

Gong, WP ;

Jin, ZP ;

Xu, HH ;

Yuan, ZH ;

Liu, Y ;

He, YH ;

Xie, FY .

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2003, 363 (1-2) :140-151

[8] Studies of light alloys by positron annihilation techniques [J].

Dupasquier, A ;

Kögel, G ;

Somoza, A .

ACTA MATERIALIA, 2004, 52 (16) :4707-4726

[9] Quantifying the strain-induced dissolution of precipitates in Al alloy microstructures using nuclear magnetic resonance [J].

Hutchinson, C. R. ;

Loo, P. T. ;

Bastow, T. J. ;

Hill, A. J. ;

Teixeira, J. da Costa .

ACTA MATERIALIA, 2009, 57 (19) :5645-5653

[10] Early stages of decomposition in Al alloys investigated by X-ray absorption [J].

Klobes, B. ;

Staab, T. E. M. ;

Dudzik, E. .

PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2008, 2 (04) :182-184

← 1 2 3 4 →