• Nonequilibrium thermodynamics of surfaces captures the energy conversions in a shock wave 

      Hafskjold, Bjørn; Bedeaux, Dick; Kjelstrup, Signe; Wilhelmsen, Øivind (Peer reviewed; Journal article, 2020)
      A theory for the entropy production in a shock wave was developed using Gibbs’ excess properties in the framework of non-equilibrium thermodynamics (NET) of surfaces. The theory was used to analyze numerical results from ...
    • Theory and simulation of shock waves: Entropy production and energy conversion 

      Hafskjold, Bjørn; Bedeaux, Dick; Kjelstrup, Signe; Wilhelmsen, Øivind (Peer reviewed; Journal article, 2021)
      We have considered a shock wave as a surface of discontinuity and computed the entropy production using nonequilibrium thermodynamics for surfaces. The results from this method, which we call the “Gibbs excess method” ...
    • Thermodynamic properties of the 3D Lennard-Jones/spline model 

      Hafskjold, Bjørn; Travis, Karl; Bailey, Amanda H.; Hammer, Morten; Aasen, Ailo; Wilhelmsen, Øivind (Journal article; Peer reviewed, 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 1:74 . It exhibits the same structural ...