Dynamic properties of liquid Ni revisited

B. G. del Rio, L. E. González, D. J. González, D. Holland-Moritz, F. Kargl
2017 EPJ Web of Conferences  
Liquid Ni has previously been studied by dierent approaches such as molecular dynamics simulations and experimental techniques including inelastic neutron and X-ray scattering. Although some puzzling results, such as the shape of the sound dispersion curve for q 1:0 Å 1 , have already been sorted out, there still persist some discrepancies, among dierent studies, for greater q-values. We have performed ab initio simulation calculations which show how those differences can be reconciled.
more » ... reconciled. Moreover, we have found that the transverse current spectral functions have some features which, so far, had previously been shown by high pressure liquid metals. £
doi:10.1051/epjconf/201715102003 fatcat:d2voho5y5nes3b2kmhdzzrhsgq