Solute segregation at the Al/θ′-Al2Cu interface in Al-Cu alloys

被引：158

作者：

Shin, Dongwon ^{[1
]}

Shyam, Amit ^{[1
]}

Lee, Sangkeun ^{[2
]}

Yamamoto, Yukinori ^{[1
]}

Haynes, J. Allen ^{[1
]}

机构：

[1] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA

[2] Oak Ridge Natl Lab, Computat Sci & Math Div, Oak Ridge, TN 37831 USA

来源：

ACTA MATERIALIA | 2017年 / 141卷

关键词：

Al-Cu alloys; theta'-Al2Cu; Solute segregation; Interface; First-principles calculations; Density functional theory; Correlation analysis; MG-AG ALLOY; TRANSMISSION ELECTRON-MICROSCOPY; TOTAL-ENERGY CALCULATIONS; FIELD-ION MICROSCOPY; CAST-ALUMINUM ALLOYS; WAVE BASIS-SET; ATOM-PROBE; THETA' PRECIPITATION; PROCESSING UNITS; TRACE ADDITIONS;

D O I：

10.1016/j.actamat.2017.09.020

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A recent investigation has confirmed that solute atoms segregated to the interfaces between aluminum and theta'-Al2Cu can extend the stability of metastable theta' to higher temperatures. Herein, we present an extensive first-principles database of the segregation energies of 34 elements to the Al/theta' interface and identify key descriptors that can guide the design of higher temperature Al-Cu alloys. We find that the segregation energies are strongly correlated with the size and volume of solute atoms and their solubilities within theta'. We provide a physical/chemical basis to the experimentally observed elemental hierarchy in terms of the ability of individual elements to stabilize the Al/theta' interface. Finally, we suggest a new microalloying strategy that offers opportunities to further increase the critical temperature limit of Al-Cu alloys. (C) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：327 / 340

页数：14

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