title: Understanding composition-property relationships in Ti-Cr-V-Mo alloys for optimisation of hydrogen storage in pressurised tanks.
abstract: The location of hydrogen within Ti-Cr-V-Mo alloys has been investigated during hydrogen absorption and desorption using in situ neutron powder diffraction and inelastic neutron scattering. Neutron powder diffraction identifies a low hydrogen equilibration pressure body-centred tetragonal phase that undergoes a martensitic phase transition to a face-centred cubic phase at high hydrogen equilibration pressures. The average location of the hydrogen in each phase has been identified from the neutron powder diffraction data although inelastic neutron scattering combined with density functional theory calculations show that the local structure is more complex than it appears from the average structure. Furthermore the origin of the change in dissociation pressure and hydrogen trapping on cycling in Ti-Cr-V-Mo alloys is discussed.
authors.affiliation: ISIS Facility, STFC, Rutherford Appleton Laboratory, Chilton, Oxfordshire OX11 0QX, UK. Sam.Callear@stfc.ac.uk.
authors.forename: Samantha K
authors.initials: SK
authors.lastname: Callear
authors.forename: Anibal J
authors.initials: AJ
authors.lastname: Ramirez-Cuesta
authors.forename: Kazuya
authors.initials: K
authors.lastname: Kamazawa
authors.forename: Shin-ichi
authors.initials: S
authors.lastname: Towata
authors.forename: Tatsuo
authors.initials: T
authors.lastname: Noritake
authors.forename: Stewart F
authors.initials: SF
authors.lastname: Parker
authors.forename: Martin O
authors.initials: MO
authors.lastname: Jones
authors.forename: Jun
authors.initials: J
authors.lastname: Sugiyama
authors.forename: Mamoru
authors.initials: M
authors.lastname: Ishikiriyama
authors.forename: William I F
authors.initials: WI
authors.lastname: David