How chemical interaction scale affects the dynamics of dense metallic liquids

Using deep inelastic neutron scattering, we plan to investigate chemical short range order on a quantitative level in liquid alloys and its correlation with the long range mass transport in the melt. We chose two alloy melts, Zr34Ni36 and Hf35Ni65, where Zr and Hf exhibit identical valence electron shell configurations and very similar chemical properties. However, the atomic dynamics in the alloy melts differ by a factor of 2. By measuring the mass-resolved, atom-projected vibrational density of states, we intend to quantify the chemical interaction in the melt in terms of the chemical interaction scale. This allows us to gain deeper insight on the interaction potentials and the electronic origin of chemical short range order in the liquid alloys, in order to understand the structure-property relation in the disordered systems.

本研究拟采用深非弹性中子散射（deep inelastic neutron scattering），对液态合金中的化学短程序（chemical short range order）开展定量表征，并探究其与熔体中长程质量输运的关联。我们选取Zr₃₄Ni₃₆与Hf₃₅Ni₆₅两种合金熔体作为研究对象，其中Zr与Hf具有完全一致的价电子壳层结构且化学性质极为相似，但两类合金熔体的原子动力学行为却存在2倍的差异。通过测定质量分辨、原子投影的振动态密度（mass-resolved, atom-projected vibrational density of states），我们拟以化学相互作用尺度为指标定量表征熔体中的化学相互作用，借此深入解析液态合金中化学短程序的相互作用势与电子起源，从而阐明无序体系中的结构-性能关联机制。