Solid solution hardening of vacancy stabilized TixW1-xB2

被引：52

作者：

Euchner, H. ^{[1
]}

Mayrhofer, P. H. ^{[1
]}

Riedl, H. ^{[1
]}

Klimashin, F. F. ^{[1
]}

Limbeck, A. ^{[2
]}

Polcik, P. ^{[3
]}

Kolozsvari, S. ^{[3
]}

机构：

[1] TU Wien, Inst Mat Sci & Technol, A-1060 Vienna, Austria

[2] TU Wien, Inst Chem Technol & Analyt, A-1060 Vienna, Austria

[3] Plansee Composite Mat GmbH, D-86983 Lechbruck, Germany

来源：

ACTA MATERIALIA | 2015年 / 101卷

基金：

奥地利科学基金会;

关键词：

Ti1-xWxB2; Sputtering; Vacancies; Density functional theory; TOTAL-ENERGY CALCULATIONS; ALB2-TYPE WB2; THIN-FILMS; MICROSTRUCTURE; DIBORIDE; TERNARY;

D O I：

10.1016/j.actamat.2015.08.048

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a combined experimental and theoretical investigation of sputter deposited thin films in the ternary system Ti1-xWxB2. Solid solutions of Ti1-xWxB2-z, were prepared by physical vapor deposition (PVD) and, over the whole composition range, found to crystallize in the AlB2 structure type. The obtained films exhibit good thermal stability and high hardness, evidencing a maximum value of almost 40 GPa for Ti0.67W0.33B2-z. The effect of vacancies on stabilization and mechanical properties of the AlB2 structure type is discussed, using ab initio simulations. Based on our results, we can conclude that vacancies are crucial for the phase stability of PVD deposited T1-xWxB2-z coatings. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).

引用

页码：55 / 61

页数：7

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