2009 Fiscal Year Final Research Report

Local structure of crystalline and non-crystalline metal-hydrides

Research Project

Project/Area Number	20760470
Research Category	Grant-in-Aid for Young Scientists (B)
Allocation Type	Single-year Grants
Research Field	Structural/Functional materials
Research Institution	Kyoto University
Principal Investigator	ITOH Keiji Kyoto University, 原子炉実験所, 助教 (80324713)
Project Period (FY)	2008 – 2009
Keywords	非晶質合金 / 水素吸蔵合金 / 中性子回折 / X線回折
Research Abstract	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.