Neutron Compton scattering and neutron diffraction, augmented by ab initio modelling, have been applied for the characterisation of disorder in molybdate glasses, 20MoO 3 + 30Nd 2 O 3 + 50B 2 O 3 , 40MoO 3 + 30Nd 2 O 3 + 30B 2 O 3 , and 50MoO 3 + 25Nd 2 O 3 + 25B 2 O 3 , along with their parent metal oxides, B 2 O 3 , MoO 3 and Nd 2 O 3 . Softening of the atom-projected vibrational densities of states (apVDOSes) was observed for all constituent nuclei in the metal oxide systems, with respect to the ab initio harmonic lattice dynamics predictions. For the oxygen, the mode softening was attributed to force-constant disorder, and for the boron to the isotopic mass disorder. A universal scale of disorder in oxide glasses has been proposed. The scale relies on the assumption that the am...

中文翻译：

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中子衍射和康普顿散射观察到的钼酸盐玻璃及其母体金属氧化物的位置，同位素质量和力常数无序

从头算建模得到增强的中子康普顿散射和中子衍射已用于表征钼酸盐玻璃，20MoO 3 + 30Nd 2 O 3 + 50B 2 O 3，40MoO 3 + 30Nd 2 O 3 + 30B 2 O 3 ，50MoO 3 + 25Nd 2 O 3 + 25B 2 O 3以及它们的母体金属氧化物B 2 O 3，MoO 3和Nd 2 O 3。相对于从头算谐波晶格动力学预测，观察到金属氧化物系统中所有组成核的原子投影振动态密度（apVDOSes）减弱。对于氧气，模式软化归因于力常数紊乱，对于硼而言，归因于同位素质量紊乱。已经提出了氧化物玻璃中普遍的无序尺度。该规模取决于以下假设：