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Title: High temperature phase decomposition in Ti{sub x}Zr{sub y}Al{sub z}N

Through a combination of theoretical and experimental observations we study the high temperature decomposition behavior of c-(Ti{sub x}Zr{sub y}Al{sub z}N) alloys. We show that for most concentrations the high formation energy of (ZrAl)N causes a strong tendency for spinodal decomposition between ZrN and AlN while other decompositions tendencies are suppressed. In addition we observe that entropic effects due to configurational disorder favor a formation of a stable Zr-rich (TiZr)N phase with increasing temperature. Our calculations also predict that at high temperatures a Zr rich (TiZrAl)N disordered phase should become more resistant against the spinodal decomposition despite its high and positive formation energy due to the specific topology of the free energy surface at the relevant concentrations. Our experimental observations confirm this prediction by showing strong tendency towards decomposition in a Zr-poor sample while a Zr-rich alloy shows a greatly reduced decomposition rate, which is mostly attributable to binodal decomposition processes. This result highlights the importance of considering the second derivative of the free energy, in addition to its absolute value in predicting decomposition trends of thermodynamically unstable alloys.
Authors:
; ; ; ; ; ;  [1] ;  [2] ;  [1] ;  [3] ;  [1] ;  [4] ;  [4]
  1. Department of Physics, Chemistry, and Biology (IFM), Linköping University, Linköping SE-581 83 (Sweden)
  2. Sandvik Coromant, SE-126 80 Stockholm (Sweden)
  3. (Sweden)
  4. (Russian Federation)
Publication Date:
OSTI Identifier:
22420221
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 4; Journal Issue: 12; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ALLOYS; ALUMINIUM NITRIDES; CONCENTRATION RATIO; DECOMPOSITION; FORECASTING; FORMATION HEAT; FREE ENERGY; SURFACES; TEMPERATURE RANGE 0400-1000 K; TITANIUM COMPOUNDS; ZIRCONIUM NITRIDES