Free volume and medium range structure analyses of amorphous alloys

本文对Ni-Zr非晶合金及其氘化物进行了中子衍射和反蒙特卡罗（RMC）模拟。对得到的结构模型进行了详细分析。这些原子构型被划分为基本的结构单元，以便研究这些单元的连接是如何形成短程和中程结构的。并对自由体积定量分析的可能性进行了探讨。

In this work, neutron diffraction and reverse Monte Carlo (RMC) simulation were performed on Ni-Zr amorphous alloys and its deuteride. Obtained structural models were analyzed in detail. These atomic configurations were divided into fundamental structural units, in order to investigate how the short and medium range structures are formed by a connection of these units. Moreover, the possibility of the quantitative analysis of free volume was examined.