Jump to main content
Jump to site search

Issue 87, 2014
Previous Article Next Article

Structural stability and compressive behavior of ZrH2 under hydrostatic pressure and nonhydrostatic pressure

Author affiliations

Abstract

The important transition metal dihydride ZrH2 has been characterized using in situ synchrotron X-ray diffraction combined with diamond anvil cell techniques and ab initio calculations. The effect of a pressure-transmitting medium on the structural stability and compressive behavior was investigated under both hydrostatic pressure and nonhydrostatic pressure conditions. The ambient I4/mmm structure is stable under both nonhydrostatic and hydrostatic compressions. The supplementary theoretical calculations have proposed that the I4/mmm structure transformed into the P4/nmm structure above 100 GPa confirming the stability of the I4/mmm structure during the experimental runs. The difference in the volume reduction between the two compressions becomes larger with increasing pressure. Up to about 50 GPa, the volume collapse of nonhydrostatic compression is 6% relative to the hydrostatic compression. The present study offers a new approach with nonhydrostatic compression or shear stress for finding higher volumetric density hydrogen structures in metal hydrides.

Graphical abstract: Structural stability and compressive behavior of ZrH2 under hydrostatic pressure and nonhydrostatic pressure

Back to tab navigation

Publication details

The article was received on 06 Jul 2014, accepted on 15 Sep 2014 and first published on 15 Sep 2014


Article type: Paper
DOI: 10.1039/C4RA06713D
Citation: RSC Adv., 2014,4, 46780-46786
  •   Request permissions

    Structural stability and compressive behavior of ZrH2 under hydrostatic pressure and nonhydrostatic pressure

    X. Huang, D. Duan, F. Li, Y. Huang, L. Wang, Y. Liu, K. Bao, Q. Zhou, B. Liu and T. Cui, RSC Adv., 2014, 4, 46780
    DOI: 10.1039/C4RA06713D

Search articles by author

Spotlight

Advertisements