TY  - JOUR
AU  - Ropo, Matti
AU  - Akola, Jaakko
AU  - Jones, Robert O.
TI  - Collective excitations and viscosity in liquid Bi
JO  - The journal of chemical physics
VL  - 145
IS  - 18
SN  - 1089-7690
CY  - Melville, NY
PB  - American Institute of Physics
M1  - FZJ-2016-05923
SP  - 184502
PY  - 2016
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000388616100027
C6  - pmid:27846672
DO  - DOI:10.1063/1.4965429
UR  - https://juser.fz-juelich.de/record/820654
ER  -