Ab Initio Analysis of Guinier–Preston–Bagaryatsky Zone Nucleation in Al-Cu-Mg Alloys

Journal Article · Tue May 01 04:00:00 EDT 2012 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2012.03.044· OSTI ID:1040667

Kovarik, Libor; Mills, M J

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 works addresses the precipitation processes in the early stages by ab-initiomodeling of GPB zone nucleation. We derive the structural nature of GPB zone nuclei and establish that the nucleation starts with 1D-GPB1 crystals, which represent thermodynamically stable configurations at the size scale previously associated only with solute clusters. It is also established that the 1D-GPB1 can form very rapidly due a simple structural transition from FCC 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.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1040667
• Report Number(s): PNNL-SA-86914; KP1704020
• Journal Information: Acta Materialia, Journal Name: Acta Materialia Journal Issue: 9 Vol. 60; ISSN 1359-6454; ISSN ACMAFD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
AGING
ALLOYS
Ab
Al
Alloys
Cu
GPB
HARDENING
MICROSTRUCTURE
Mg
NUCLEATION
NUCLEI
ORIGIN
PRECIPITATION
SOLUTES
analysis
initio
nucleation
zone