Blar i NTNU Open på forfatter "Travis, Karl"
-
Thermodynamic properties of the 3D Lennard-Jones/spline model
Hafskjold, Bjørn; Travis, Karl; Bailey, Amanda H.; Hammer, Morten; Aasen, Ailo; Wilhelmsen, Øivind (Peer reviewed; Journal article, 2019)In the Lennard-Jones spline (LJ/s) model, the Lennard-Jones (LJ) potential is truncated and splined so that both the pair potential and the force continuously approach zero at rc ≈ 1.74σ. It exhibits the same structural ...