Local structure of crystalline and non-crystalline metal-hydrides

晶体和非晶体金属氢化物的局部结构

• 批准号: 20760470
• 负责人: ITOH Keiji
• 金额: $ 2.75万
• 依托单位: Kyoto University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Young Scientists (B)
• 财政年份: 2008
• 资助国家: 日本
• 起止时间: 2008 至 2009
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20760470/
• 关键词: 非晶質合金; 水素吸蔵合金; 中性子回折; X線回折; 非晶質; 原子構造; 水素

Neutron and X-ray diffraction and reverse Monte Carlo (RMC) simulation were performed on Ni-Zr amorphous alloys to investigate the rearrangement of metal atoms due to the deuterium absorption. The results showed that the Zr-Zr distances slightly increase but the Zr-Ni and Ni-Ni distances remain virtually unchanged after the deuterium absorption. Additionally, the Voronoi polyhedral analysis of the RMC configurations showed that there is not much difference in the local structure around Zr and Ni before and after the deuterium absorption.Moreover, neutron diffraction results showed that V-D distance in α-VDx is independent with x.

利用中子衍射、X射线衍射和反向蒙特卡罗（RMC）模拟研究了Ni-Zr非晶合金吸氘后金属原子的重排。结果表明，吸氘后Zr-Zr间距略有增加，而Zr-Ni和Ni-Ni间距基本不变。此外，对RMC组态的Voronoi多面体分析表明，吸氘前后Zr和Ni附近的局域结构没有太大变化，中子衍射结果表明，α-VDx中的V-D距离与x无关。

项目成果

Structural study on Zr0.39Ni0.61 and (Zr0.39Ni0.61)D0.59 amorphous alloys by neutron and X-ray diffraction

• DOI: 10.1016/j.jallcom.2008.07.150
• 发表时间: 2009-08
• 期刊: Journal of Alloys and Compounds
• 影响因子: 6.2
• 作者: K. Itoh;T. Watanabe;T. Otomo;M. Sugiyama;K. Mori;T. Fukunaga

水素吸蔵によるNi-Zr非晶質合金の構造変化

Ni-Zr非晶合金吸氢引起的结构变化

• 发表时间: 2008
• 作者: 伊藤恵司;森一広;杉山正明;福永俊晴
• 通讯作者: 福永俊晴

Structural study of amorphous LaNi_5D_x : In situ neutron and X-ray diffraction experiments in deuterium gas

非晶LaNi_5D_x的结构研究：氘气中的原位中子和X射线衍射实验

• 发表时间: 2009
• 期刊: J.Alloys and Compounds 474
• 作者: Isokawa;S.;L. Pinsard-Gaudart;福永俊晴
• 通讯作者: 福永俊晴