Pressure enhancement of the isostructural cubic decomposition in Ti1-xAlxN

被引：62

作者：

Alling, B. ^{[1
]}

Oden, M. ^{[1
]}

Hultman, L. ^{[1
]}

Abrikosov, I. A. ^{[1
]}

机构：

[1] Linkoping Univ, Dept Phys Chem & Biol, IFM, SE-58183 Linkoping, Sweden

来源：

APPLIED PHYSICS LETTERS | 2009年 / 95卷 / 18期

基金：

瑞典研究理事会;

关键词：

ab initio calculations; aluminium compounds; enthalpy; high-pressure effects; mixing; solid solutions; spinodal decomposition; titanium compounds; AUGMENTED-WAVE METHOD; ROCK-SALT-TYPE; MECHANICAL-PROPERTIES; ALUMINUM NITRIDE; THIN-FILMS; METALS; TI;

D O I：

10.1063/1.3256196

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The influence of pressure on the phase stabilities of Ti1-xAlxN solid solutions has been studied using first principles calculations. We find that the application of hydrostatic pressure enhances the tendency for isostructural decomposition, including spinodal decomposition. The effect originates in the gradual pressure stabilization of cubic AlN with respect to the wurtzite structure and an increased isostructural cubic mixing enthalpy with increased pressure. The influence is sufficiently strong in the composition-temperature interval corresponding to a shoulder of the spinodal line that it could impact the stability of the material at pressures achievable in the tool-work piece contact during cutting operations.

引用

页数：3

共 22 条

[1] Mixing and decomposition thermodynamics of c-Ti1-xAlxN from first-principles calculations [J].

Alling, B. ;

Ruban, A. V. ;

Karimi, A. ;

Peil, O. E. ;

Simak, S. I. ;

Hultman, L. ;

Abrikosov, I. A. .

PHYSICAL REVIEW B, 2007, 75 (04)

[2] First-principles study of the effect of nitrogen vacancies on the decomposition pattern in cubic Ti1-xAlxN1-y [J].

Alling, B. ;

Karimi, A. ;

Hultman, L. ;

Abrikosov, I. A. .

APPLIED PHYSICS LETTERS, 2008, 92 (07)

[3] Electronic origin of the isostructural decomposition in cubic M1-xAlxN (M=Ti, Cr, Sc, Hf): A first-principles study [J].

Alling, B. ;

Karimi, A. ;

Abrikosov, I. A. .

SURFACE & COATINGS TECHNOLOGY, 2008, 203 (5-7) :883-886

[4]

ALLING B, 2009, THESIS ECOLE POLYTEC

[5] PROJECTOR AUGMENTED-WAVE METHOD [J].

BLOCHL, PE .

PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979

[6] Mechanical properties and machining performance of Ti1-xAlxN-coated cutting tools [J].

Hörling, A ;

Hultman, L ;

Odén, M ;

Sjölén, J ;

Karlsson, L .

SURFACE & COATINGS TECHNOLOGY, 2005, 191 (2-3) :384-392

[7] Thermal stability of arc evaporated high aluminum-conteht Ti1-xAlxN thin films [J].

Hörling, A ;

Hultman, L ;

Odén, M ;

Sjölén, J ;

Karlsson, L .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 2002, 20 (05) :1815-1823

[8] ON STRUCTURE AND PROPERTIES OF SPUTTERED TI AND AL BASED HARD COMPOUND FILMS [J].

KNOTEK, O ;

BOHMER, M ;

LEYENDECKER, T .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, 1986, 4 (06) :2695-2700

[9] Thermal decomposition products in arc evaporated TiAlN/TiN multilayers [J].

Knutsson, A. ;

Johansson, M. P. ;

Persson, P. O. A. ;

Hultman, L. ;

Oden, M. .

APPLIED PHYSICS LETTERS, 2008, 93 (14)

[10] From ultrasoft pseudopotentials to the projector augmented-wave method [J].

Kresse, G ;

Joubert, D .

PHYSICAL REVIEW B, 1999, 59 (03) :1758-1775

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