Carbides and Nitrides of Zirconium and Hafnium.

Clicks: 153
ID: 29242
2019
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Abstract
Among transition metal carbides and nitrides, zirconium, and hafnium compounds are the most stable and have the highest melting temperatures. Here we review published data on phases and phase equilibria in Hf-Zr-C-N-O system, from experiment and ab initio computations with focus on rocksalt Zr and Hf carbides and nitrides, their solid solutions and oxygen solubility limits. The systematic experimental studies on phase equilibria and thermodynamics were performed mainly 40-60 years ago, mostly for binary systems of Zr and Hf with C and N. Since then, synthesis of several oxynitrides was reported in the fluorite-derivative type of structures, of orthorhombic and cubic higher nitrides ZrN and HfN. An ever-increasing stream of data is provided by ab initio computations, and one of the testable predictions is that the rocksalt HfCN phase would have the highest known melting temperature. Experimental data on melting temperatures of hafnium carbonitrides are absent, but minimum in heat capacity and maximum in hardness were reported for Hf(C,N) solid solutions. New methods, such as electrical pulse heating and laser melting, can fill the gaps in experimental data and validate ab initio predictions.
Reference Key
ushakov2019carbidesmaterials Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Ushakov, Sergey V;Navrotsky, Alexandra;Hong, Qi-Jun;van de Walle, Axel;
Journal Materials (Basel, Switzerland)
Year 2019
DOI
E2728
URL
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