Blar i Institutt for kjemi på emneord "molecular dynamics"
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Transport phenomena in a temperaturegradient studied by NEMD. A chemical reaction and a phase transition
(Doctoral Theses at NTNU, 1503-8181; 2009:193, Doctoral thesis, 2009)In this thesis we used non-equilibrium molecular dynamics (NEMD) to study non-equilibrium behaviors of two irreversible systems, both exposed to large temperature gradients. As modeling systems, we have chosen a simple ...