Compressibility and thermal expansion study of δ-UZr2 at high pressure and high temperature

被引：2

作者：

Shukla, Balmukund ^{[1
]}

Kumar, N. R. Sanjay ^{[1
]}

Kaur, Gurpreet ^{[2
]}

Shekar, N. V. Chandra ^{[1
]}

Sinha, A. K. ^{[3
,4
]}

机构：

[1] Indira Gandhi Ctr Atom Res, Condensed Matter Phys Div, High Pressure Phys Sect, Mat Sci Grp, Kalpakkam 603102, Tamil Nadu, India

[2] Indira Gandhi Ctr Atom Res, Mat Phys Div, Mat Sci Grp, Kalpakkam 603102, Tamil Nadu, India

[3] Raja Ramanna Ctr Adv Technol, Synchrotron Utilizat Sect, Indore 452013, Madhya Pradesh, India

[4] Homi Bhabha Natl Inst, Training Sch Complex, Mumbai 400094, Maharashtra, India

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2020年 / 813卷

关键词：

High pressure; Bulk modulus; DFT calculation; Density of state; Fermi energy; Charge density; TOTAL-ENERGY CALCULATIONS; URANIUM-ZIRCONIUM ALLOY; OMEGA-PHASE; AB; STABILITY; TRANSITION; TITANIUM; ALPHA;

D O I：

10.1016/j.jallcom.2019.152214

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

UZr2 has been synthesized using the arc-melting technique. At ambient the compound is found to crystallize in a modified C32, AIB(2) type structure, called delta-structure and it remains stable up to 20 GPa. However, an anomalous decrease of c/a ratio has been observed in different pressure intervals at ambient temperature. At elevated temperature c/a ratio, shows a marginal increase with pressure. The bulk modulus and its pressure derivative at ambient temperature are found to be 108.3 GPa and 5.0, respectively. High-pressure and high-temperature studies reveal a softening in the material at higher temperatures. The thermal expansion coefficients are found to decrease from 4.6 x 10(-5) K-1 at 1.2 GPa to 2.7 x 10(-5) K-1 at 6.6 GPa in the temperature range 300 K-473 K. (C) 2019 Elsevier B.V. All rights reserved.

引用

页数：7

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