Molecular dynamics simulation of the inverted temperature gradient phenomenon

A molecular dynamics simulation of the temperature profile between two liquid surfaces kept at slightly different temperatures, with evaporation from the hot surface and condensation on the cold surface, is presented. The more than 30 years old theoretical prediction of an inverted temperature gradient by gas–kinetic calculations has still not been proven experimentally. However, the inverted temperature gradient phenomenon is observed in the molecular dynamics simulation and the temperature profile agrees well with gas–kinetic theory. It should be stressed that the liquid is also simulated in molecular dynamics; distribution functions at the interfaces have not been specified as is necessary in kinetic theory calculations. ©2003 American Institute of Physics