Understanding composition-property relationships in Ti-Cr-V-Mo alloys for optimisation of hydrogen storage in pressurised tanks.
Understanding composition-property relationships in Ti-Cr-V-Mo alloys for optimisation of hydrogen storage in pressurised tanks.
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DOI：
10.1039/c4cp01666a
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发表时间：
2014-07
期刊：
影响因子：
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通讯作者：
S. Callear;A. Ramirez‐Cuesta;K. Kamazawa;S. Towata;T. Noritake;Stewart F. Parker;Martin O Jones;Jun Sugiyama;M. Ishikiriyama;William I. F. David
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文献类型：
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作者：
S. Callear;A. Ramirez‐Cuesta;K. Kamazawa;S. Towata;T. Noritake;Stewart F. Parker;Martin O Jones;Jun Sugiyama;M. Ishikiriyama;William I. F. David
使用原位中子粉末衍射和非弹性中子散射研究了氢吸收和解吸过程中 Ti-Cr-V-Mo 合金中氢的位置。中子粉末衍射识别出低氢平衡压力体心四方相，该相在高氢平衡压力下经历马氏体相变到面心立方相。尽管非弹性中子散射与密度泛函理论计算相结合表明局部结构比平均结构更复杂，但已从中子粉末衍射数据中确定了每个相中氢的平均位置。此外，还讨论了 Ti-Cr-V-Mo 合金循环过程中解离压变化和氢捕获的起源。
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.