Pregled bibliografske jedinice broj: 1051568
On the effects of assuming flow profiles in nonequilibrium simulations
On the effects of assuming flow profiles in nonequilibrium simulations // The Journal of Chemical Physics, 119 (2003), 21; 11005-11010 doi:10.1063/1.1623178 (međunarodna recenzija, članak, znanstveni)
CROSBI ID: 1051568 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
On the effects of assuming flow profiles in nonequilibrium simulations
Autori
Delhommelle, Jerome ; Petravic, J. ; Evans, Denis J.
Izvornik
The Journal of Chemical Physics (0021-9606) 119
(2003), 21;
11005-11010
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
non-equilibrium simulation, flow profile, configurational temperature
Sažetak
Atomic simulation methods modelling fluid flows often incorporate in the equations of motion the steady state flow profile predicted by Navier–Stokes equations. We show in this work that this may lead to significant errors such as spurious shear induced ordering, unphysical steady state flow profiles or artificial dampening of thermal motion even at shear rates regarded as low in simulation applications. Our results also suggest that nonequilibrium molecular dynamics coupled with the recently developed configurational thermostat, which makes no assumption at all on the flow profile, provides a much more realistic way to study these phenomena.
Izvorni jezik
Engleski
Znanstvena područja
Fizika, Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus
