Finite element modeling of spinodal decomposition in nitrides -a comparison
Title: |
Finite element modeling of spinodal decomposition in nitrides -a comparison |
DNr: |
SNIC 2015/1-404 |
Project Type: |
SNIC Medium Compute |
Principal Investigator: |
Magnus Odén <magod@ifm.liu.se> |
Affiliation: |
Linköpings universitet |
Duration: |
2015-11-30 – 2016-08-01 |
Classification: |
10304 |
Keywords: |
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Abstract
A comparative study of XAlN where X = Ti, Zr, Hf, simulated in 3D using phase field will be performed. The study governs the energy and nanostructure evolution within one grain of a XAlN thin film that undergoes spinodal decomposition at elevated temperatures (1173 K). Input data is taken from temperature dependent (phonon contribution is included) first principle Gibbs free energy calculations performed by Shulumba et al. [1].
Changing the amount of Al content in the films have shown to change the properties [3] as well as nanostructuring [2,4,5] dramatically. A minimum of three different compositions of Al content will be simulated for every XAlN. Since these coatings are interesting for applications as wear protective coatings in the cutting tool industry, we also intend to investigate the dependence of Young’s modulus upon the microstructure in different crystallographic directions.
[1] Shulumba N, Hellman O, Raza Z, Barrirero J, Alling B, Mücklich F, Abrikosov I.A, Odén M. arXiv:1503.02459v2 [cond-mat.mtrl-sci]
[2] Ullbrand J. Phase Field Modeling of Spinodal Decomposition in TiAlN. Linköping: Linköping University Electronic Press, 2012.
[3] Hörling A, Hultman L, Odén M, Sjölén J, Karlsson L. Surf. coatings technol. 2005;191:384–392.
[4] Johansson Jõesaar MP, Norrby N, Ullbrand J, M’Saoubi R, Odén M. Surf. coatings technol. 2013;235:181–185.
[5] Knutsson A, Ullbrand J, Rogström L, Norrby N, Johnson LJS, Hultman L, Almer J, Johansson Jo¨esaar MP, Jansson B, Odén M. J. appl. phys. 2013;113:213518.