Sažetak sa skupa
Calculation of the velocity auto-correlation function by molecular dynamics in liquid copper
M. Davidović
; Boris Kidrič Institute of Nuclear Sciences, Vinča, Beograd, Yugoslavia
M. Živković
; Boris Kidrič Institute of Nuclear Sciences, Vinča, Beograd, Yugoslavia
Dj. Jović
; Boris Kidrič Institute of Nuclear Sciences, Vinča, Beograd, Yugoslavia
Sažetak
To be able to derive all macroscopic properties of the condensed system, it is necessary to know the pairwise particles potential of the system. In order to study these properties, a molecular dynamic experiment has been performed on liquid copper, at 1393 K. For the above mentioned experiment the pair potential has been calculated by inverting the Week–Chandler–Anderson (WSA) perturbation theory. With this potential the velocity auto-correlation function φ(t), the pair correlation function g(r) and the transport quantities like self-diffusion coefficient D were calculated. The calculated data were compared to the experimental one and the agreement was rather good.
Ključne riječi
Hrčak ID:
340705
URI
Datum izdavanja:
15.12.1980.
Posjeta: 166 *