Nuclear quadrupolar relaxation and the dynamics of pairs of atoms in liquids

We have developed a model calculation for the electrical field gradient correlation function on a probe atom in the liquid, c_EFG(t)=20(0)V₂₀(t)>. In this model, symmetry of the liquid is introduced explicitly and the distribution function for therelative coordinate r_i(t) between the probe atom and particle i is calculated using Smoluchowski's diffusion equation with a mean force potential Φ(r)=k_BT In g(r). The results for c_EFG(t) can be characterized by two correlation times, , the shorter one being responsible for the small values of R_Q in pure liquid metals, the longer one producing the increase of R_Q in alloys. Also good agreement is found with recent results for c_efg(t) from molecular dynamics studies.