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Title: A conjoint XRD-ND analysis of the crystal structures of austenitic and martensitic Ti{sub 0.64}Zr{sub 0.36}Ni hydrides

Abstract

The crystal structures of the hydrides of austenitic and martensitic Ti{sub 0.64}Zr{sub 0.36}Ni alloy have been investigated by conjoint X-ray diffraction (XRD)-neutron diffraction (ND) analysis. Austenitic Ti{sub 0.64}Zr{sub 0.36}Ni alloy with cubic CsCl-type structure preserves its metal sublattice structure after deuteration. It forms a Ti{sub 0.64}Zr{sub 0.36}NiD{sub 1.5} deuteride with D-atoms occupying half of the octahedrally coordinated 3d sites. On the contrary, the monoclinic TiNi-type structure of martensitic Ti{sub 0.64}Zr{sub 0.36}Ni alloy is modified after deuterium absorption. At P{sub D2}=10{sup 3}Pa and T=298K, two deuterides coexist with orthorhombic CrB-type structure for the metal sublattice and compositions Ti{sub 0.64}Zr{sub 0.36}NiD ({beta}-deuteride) and Ti{sub 0.64}Zr{sub 0.36}NiD{sub 2.6} ({gamma}-deuteride). For the {beta}-monodeuteride, deuterium atoms are tetrahedrally coordinated by (Ti,Zr) atoms. For the {gamma}-deuteride, D-atoms fully occupy tetrahedrally coordinated (Ti,Zr){sub 3}Ni 8f sites and partially occupy pyramidal (Ti,Zr){sub 3}Ni{sub 2} 4c sites. At higher pressures, deuterium solution occurs in the {gamma}-phase with a partial occupancy of octahedrally coordinated (Ti,Zr){sub 2}Ni{sub 4} 4a sites.

Authors:
 [1];  [1];  [2];  [1]
  1. LCMTR-ISCSA-CNRS, 2-8 rue Henri Dunant, 94320 Thiais Cedex (France)
  2. LLB, CEA-CNRS, CE-Saclay, 91191 Gif sur Yvette Cedex (France)
Publication Date:
OSTI Identifier:
20900873
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 179; Journal Issue: 11; Other Information: DOI: 10.1016/j.jssc.2006.06.025; PII: S0022-4596(06)00358-6; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ABSORPTION; AUSTENITIC STEELS; CUBIC LATTICES; DEUTERATION; DEUTERIDES; DEUTERIUM; HYDROGEN STORAGE; INTERMETALLIC COMPOUNDS; MONOCLINIC LATTICES; NEUTRON DIFFRACTION; NICKEL ALLOYS; NICKEL HYDRIDES; ORTHORHOMBIC LATTICES; PHASE TRANSFORMATIONS; TITANIUM ALLOYS; TITANIUM HYDRIDES; X-RAY DIFFRACTION; ZIRCONIUM ALLOYS; ZIRCONIUM HYDRIDES

Citation Formats

Cuevas, F, Latroche, M, Bouree-Vigneron, F, and Percheron-Guegan, A. A conjoint XRD-ND analysis of the crystal structures of austenitic and martensitic Ti{sub 0.64}Zr{sub 0.36}Ni hydrides. United States: N. p., 2006. Web. doi:10.1016/j.jssc.2006.06.025.
Cuevas, F, Latroche, M, Bouree-Vigneron, F, & Percheron-Guegan, A. A conjoint XRD-ND analysis of the crystal structures of austenitic and martensitic Ti{sub 0.64}Zr{sub 0.36}Ni hydrides. United States. https://doi.org/10.1016/j.jssc.2006.06.025
Cuevas, F, Latroche, M, Bouree-Vigneron, F, and Percheron-Guegan, A. Wed . "A conjoint XRD-ND analysis of the crystal structures of austenitic and martensitic Ti{sub 0.64}Zr{sub 0.36}Ni hydrides". United States. https://doi.org/10.1016/j.jssc.2006.06.025.
@article{osti_20900873,
title = {A conjoint XRD-ND analysis of the crystal structures of austenitic and martensitic Ti{sub 0.64}Zr{sub 0.36}Ni hydrides},
author = {Cuevas, F and Latroche, M and Bouree-Vigneron, F and Percheron-Guegan, A},
abstractNote = {The crystal structures of the hydrides of austenitic and martensitic Ti{sub 0.64}Zr{sub 0.36}Ni alloy have been investigated by conjoint X-ray diffraction (XRD)-neutron diffraction (ND) analysis. Austenitic Ti{sub 0.64}Zr{sub 0.36}Ni alloy with cubic CsCl-type structure preserves its metal sublattice structure after deuteration. It forms a Ti{sub 0.64}Zr{sub 0.36}NiD{sub 1.5} deuteride with D-atoms occupying half of the octahedrally coordinated 3d sites. On the contrary, the monoclinic TiNi-type structure of martensitic Ti{sub 0.64}Zr{sub 0.36}Ni alloy is modified after deuterium absorption. At P{sub D2}=10{sup 3}Pa and T=298K, two deuterides coexist with orthorhombic CrB-type structure for the metal sublattice and compositions Ti{sub 0.64}Zr{sub 0.36}NiD ({beta}-deuteride) and Ti{sub 0.64}Zr{sub 0.36}NiD{sub 2.6} ({gamma}-deuteride). For the {beta}-monodeuteride, deuterium atoms are tetrahedrally coordinated by (Ti,Zr) atoms. For the {gamma}-deuteride, D-atoms fully occupy tetrahedrally coordinated (Ti,Zr){sub 3}Ni 8f sites and partially occupy pyramidal (Ti,Zr){sub 3}Ni{sub 2} 4c sites. At higher pressures, deuterium solution occurs in the {gamma}-phase with a partial occupancy of octahedrally coordinated (Ti,Zr){sub 2}Ni{sub 4} 4a sites.},
doi = {10.1016/j.jssc.2006.06.025},
url = {https://www.osti.gov/biblio/20900873}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 11,
volume = 179,
place = {United States},
year = {2006},
month = {11}
}