First-principles calculations and thermodynamic modeling of the V–Zr system

Zhao, Xiangshan; Yuan, Gai-Huan; Yao, Meiyi; Ye, Qiang; Shen, Jianyun

doi:10.1016/j.calphad.2011.07.003

Cited by 23 publications

(3 citation statements)

References 31 publications

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“…(1)- (11). Indeed, kinetic effects such as thermal activations at low temperatures have been noticed and well studied in amorphous structures [39].…”

Section: V:1zr and 1v:2zrmentioning

confidence: 98%

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Formation and structure of V–Zr amorphous alloy thin films

et al. 2015

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Although the equilibrium phase diagram predicts that alloys in the central part of the V-Zr system should consist of V 2 Zr Laves phase with partial segregation of one element, it is known that under non-equilibrium conditions these materials can form amorphous structures. Here we examine the structures and stabilities of thin film V-Zr alloys deposited at room temperature by magnetron sputtering. The films were characterized by X-ray diffraction, transmission electron microscopy and computational methods. Atomic-scale modelling was used to investigate the enthalpies of formation of the various competing structures. The calculations confirmed that an amorphous solid solution would be significantly more stable than a random body-centred solid solution of the elements, in agreement with the experimental results. In addition, the modelling effort provided insight into the probable atomic configurations of the amorphous structures allowing predictions of the average distance to the first and second nearest neighbours in the system. Crown

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“…(1)- (11). Indeed, kinetic effects such as thermal activations at low temperatures have been noticed and well studied in amorphous structures [39].…”

Section: V:1zr and 1v:2zrmentioning

confidence: 98%

“…The binary metallic V-Zr system has been studied both experimentally [6][7][8] and computationally [9][10][11][12][13]. In its elemental form V is body-centred cubic (bcc) while Zr is hexagonal-close packed (hcp) below $1136 K and bcc above that temperature [14].…”

Section: Introductionmentioning

confidence: 99%

Formation and structure of V–Zr amorphous alloy thin films

et al. 2015

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“…The C15 Laves phase ZrV 2 and HfV 2 based systems have been considered to be promising materials for high temperature applications, nuclear reactors, hydrogen storage devices [1][2][3] as well as for high field applications alternative to the Nb based alloys and compounds [4][5][6] . In comparison with the Nb based materials, the ZrV 2 and HfV 2 based systems were also found to be more suitable for superconducting applications in neutron radiation environment.…”

Section: Introductionmentioning

confidence: 99%

Superconductivity in V$_{1-x}$Zr$_x$ alloys]{Evolution of high field superconductivity and high critical current density in the as-cast V$_{1-x}$Zr$_x$ alloys

Chandra,

Paul,

Khandelwal

et al. 2019

Preprint

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We report here the structural, electrical and magnetic properties of as-cast V 1−x Zr x alloys (x =0 -0.4) at low temperatures. We observe that all the alloys undergo successive peritectic and eutectic reactions during cooling from the melt which leads to the formation of five phases, namely, a body centred cubic β-V phase, two phases with slightly different compositions having face centred cubic ZrV 2 structure, a hexagonal closed packed α-Zr phase, and the β-Zr precipitates. The amount of each phase is found to be dependent on the concentration of zirconium in vanadium. The β-V and ZrV 2 phases show superconductivity below 5.3 K and 8.5 K respectively. We show that the critical current density is large for V-rich V 1−x Zr x alloys with x > 0.1. The grain boundaries generated from the eutectic reaction, and the point defects formed due to the variation in the composition are found to be responsible for the pinning of flux lines in low and high magnetic fields respectively. Our studies reveal that the choice of the composition and the heat treatment which leads to eutectic reaction are important in improving the critical current density in this alloy system.

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Solid-State Phase Equilibria and Intermetallic Compounds of the Si-V-Zr Ternary System

Pan

Chen

et al. 2016

Metall Mater Trans A

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First-principles calculations and thermodynamic modeling of the V–Zr system

Cited by 23 publications

References 31 publications

Formation and structure of V–Zr amorphous alloy thin films

Formation and structure of V–Zr amorphous alloy thin films

Superconductivity in V$_{1-x}$Zr$_x$ alloys]{Evolution of high field superconductivity and high critical current density in the as-cast V$_{1-x}$Zr$_x$ alloys

Solid-State Phase Equilibria and Intermetallic Compounds of the Si-V-Zr Ternary System

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