Pressure-induced Structural Phase Transitions in Ti1-xZrxC Solid Solution

被引：3
|
作者：
Diwan, Bhoopendra Dhar [1 ]
Srivastava, Anurag [2 ]
机构：
[1] MPBOU, Bhopal 462016, MP, India
[2] ABV Indian Inst Informat Technol & Management, Adv Mat Res Lab, Gwalior 474010, India
来源：
23RD INTERNATIONAL CONFERENCE ON HIGH PRESSURE SCIENCE AND TECHNOLOGY (AIRAPT-23) | 2012年 / 377卷
关键词：
NACL-TYPE STRUCTURE; METAL CARBIDES; COHESIVE PROPERTIES; BORN MODEL; NITRIDES; ALKALI; BEHAVIOR; ENERGY; IONS; TIN;
D O I：
10.1088/1742-6596/377/1/012091
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
In present paper we have analyzed the relative Structural stability and pressure dependent B1 -> B2 structural phase transformations in Ti1-xZrxC solid solution. For the present work, we have used three-body force potential model which includes the long range as well as short range interactions, where Coulomb and three body interactions are the contents of long range part and the van der Waals multipole interactions and the Hafemeister and Flygare overlap repulsive interactions (effective up to the next nearest neighbors) makes the short range part. The calculated transition pressures are 490, 461, 431, 402 and 372 GPa for TiC, Ti0.75Zr0.25C, Ti0.50Zr0.50C, Ti0.25Zr0.75C, and ZrC compounds respectively.
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页数：4
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