Temperature and pressure investigation of Hf<sub class="a-plus-plus"> ss="a-plus-plus">x sub>Ta<sub class="a-plus-plus">1–ss="a-plus-plus">x sub>C and Zr<sub class="a-plus-plus"> ss="a-plus-plus">x sub>Nb<sub class="a-plus-plus">1–ss="a-plus-plus">x sub>C carbide alloys

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• 作者：P. Bhardwaj ; S. Singh
• 关键词：alloy ; crystal structure ; phase transitions ; high pressure ; elastic property
• 刊名：Journal of Superhard Materials
• 出版年：2016
• 出版时间：September 2016
• 年：2016
• 卷：38
• 期：5
• 页码：314-326
• 全文大小：678 KB
• 刊物类别：Chemistry and Materials Science
• 刊物主题：Chemistry
  Physical Chemistry
  Russian Library of Science
  
• 出版者：Allerton Press, Inc. distributed exclusively by Springer Science+Business Media LLC
• ISSN：1934-9408
• 卷排序：38

文摘

Structural mechanical and thermal properties of refractory carbides have been investigated using the Realistic Interaction Potential Approach (RIPA) model. The study has been extended to mixed crystals of Hf<sub>xsub>Ta<sub>1–ss="EmphasisTypeItalic ">xsub>C (0 ≤ x ≤ 1) and Zr<sub>xsub>Nb<sub>1–ss="EmphasisTypeItalic ">xsub>C (0 ≤ x ≤ 1) alloys and the effect of composition on structural and elastic properties are investigated. Phase transition pressure and associated volume collapses (ΔV(P<sub>tsub>)/V(0)) calculated from this approach are in good agreement with available literature for the parent compounds (x = 0 and x = 1). The results for the mixed crystal counter parts are also in fair agreement with experimental data generated from the application of Vegard’s law to data for the parent compounds.