期刊
SCRIPTA MATERIALIA
卷 131, 期 -, 页码 93-97出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2017.01.011
关键词
Atom probe tomography; Density-functional theory; Solute clusters; Al-Cu-Mg
类别
资金
- Australian Microscopy AMP
- Microanalysis Research Facility (AMMRF) at The University of Sydney
- Australian Government
Solute clusters affect the physical properties of alloys. Knowledge of the atomic structure of solute clusters is a prerequisite for material optimisation. In this study, solute clusters in a rapid-hardening Al-Cu-Mg alloy were characterised by a combination of atom probe tomography and density functional theory, making use of a hybrid data type that combines lattice rectification and data completion to directly input experimental data into atomistic simulations. The clusters input to the atomistic simulations are thus observed experimentally, reducing the number of possible configurations. Our results show that spheroidal, compact clusters are more energetically favourable and more abundant. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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