The structure of Cu₆₇Zr₃₃ amorphous alloy was investigated in terms of packing density and free volume by using neutron, x-ray diffraction and reverse Monte Carlo (RMC) modelling. The RMC model was analysed by a method of decomposing the three-dimensional atomic configuration into fundamental polyhedral units (termed as ‘holes’ referencing the Bernal’s works) of which faces are all triangles consisting of chemical bonds. Not only tetrahedral and octahedral holes but also other larger holes were identified. Moreover, the atomic packing fractions and free volumes in the respective polyhedral holes were evaluated with reference to those for the corresponding crystal structures. The results show that the distribution of free volumes for the larger holes can be described by the exponential function assuming that there are no energetic interactions between each other. On the other hand, the local structural fluctuations due to densely and loosely packed tetrahedral holes were observed, leading to the negative free volume spaces.

Cu ₆₇ Zr ₃₃的结构通过使用中子、X 射线衍射和反向蒙特卡罗 (RMC) 建模，研究了非晶合金的堆积密度和自由体积。RMC 模型通过将三维原子构型分解为基本多面体单元（称为“孔”，参考 Bernal 的作品）的方法进行分析，这些单元的面都是由化学键组成的三角形。不仅发现了四面体和八面体孔，还发现了其他更大的孔。此外，参考相应晶体结构的原子堆积分数和自由体积评估了各个多面体孔中的原子堆积分数和自由体积。结果表明，假设彼此之间没有能量相互作用，可以通过指数函数来描述较大孔洞的自由体积分布。