Calphad assessment of the Ni-Sn-Ti system
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- 作者：A. Berchea ; alexandre.berche@gmail.com" class="auth_mail" title="E-mail the corresponding author ; J.C. Té ; denaca ; c ; J. Fartushnab ; P. Junda
- 关键词：Thermodynamic properties ; Ab-initio calculations ; Phase stability ; Thermoelectric power generation ; Calphad method
- 刊名：Calphad
- 出版年：2016
- 出版时间：September 2016
- 年：2016
- 卷：54
- 期：Complete
- 页码：67-75
- 全文大小：2911 K
文摘
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The ternary phase diagram of Ni–Sn–Ti has been assessed by a general Calphad procedure.
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Ab initio calculations with VASP and Thermocalc have been used for phase modeling.
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Three phases exist in this system: NiTiSn, Ni2TiSn and Ni2Ti2Sn.
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The NiTi5Sn3 phase resulting of the filling of the Ti5Sn3 binary phase has been considered as an ordered structure.