Naslov
Equilibrium calculations of viscosity and thermal conductivity across a solid-liquid interface using boundary fluctuations

Autori
Petravic, Janka ; Harrowell, Peter

Izvornik
The Journal of Chemical Physics (0021-9606) 128 (2008), 19; 194710, 12

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, ostalo

Ključne riječi
molecular dynamics ; viscosity ; thermal conductivity

Sažetak
We calculate viscosity and thermal conductivity in systems of Lennard-Jones particles consisting of coexisting solid and liquid with different interface wetting properties using the recently developed equilibrium boundary fluctuation theory. We compare the slip length and equivalent liquid length obtained from these calculations with those obtained from nonequilibrium molecular dynamics. The equilibrium and nonequilibrium calculations of the slip length and the sum of the thermal equivalent lengths are in good agreement. We conclude that for both interfacial properties, the nonequilibrium simulations were probing the linear response. The significant dependence of the intrinsic equivalence length on the interfacial temperature difference used to generate the thermal gradient is explained as a consequence of the different thermodynamic states of the two interfaces

Izvorni jezik
Engleski

Znanstvena područja
Fizika, Kemija

POVEZANOST RADA