%0 Journal Article
%A Ropo, Matti
%A Akola, Jaakko
%A Jones, Robert O.
%T Collective excitations and viscosity in liquid Bi
%J The journal of chemical physics
%V 145
%N 18
%@ 1089-7690
%C Melville, NY
%I American Institute of Physics
%M FZJ-2016-05923
%P 184502
%D 2016
%X The analysis of extensive density functional/molecular dynamics simulations (over 500 atoms, up to 100 ps) of liquid bismuth at four temperatures between 573 K and 1023 K has provided details of the dynamical structure factors, the dispersion of longitudinal and transverse collective modes, and related properties (power spectrum, viscosity, and sound velocity). Agreement with available inelastic x-ray and neutron scattering data and with previous simulations is generally very good. The results show that density functional/molecular dynamics simulations can give dynamical information of good quality without the use of fitting functions, even at long wavelengths.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000388616100027
%$ pmid:27846672
%R 10.1063/1.4965429
%U https://juser.fz-juelich.de/record/820654