• Atomic-scale sliding friction on a contaminated surface 

      Ouyang, Wengen; de Wijn, Astrid S.; Urbakh, Michael (Journal article; Peer reviewed, 2018)
      Using non-equilibrium molecular dynamic simulations, we investigate the effect of adsorbates on nanoscopic friction. We find that the interplay between different channels of energy dissipation at the frictional interface ...
    • Cascading Failures in Dynamic Networks 

      Jensen, Pauline Haavind (Master thesis, 2019)
      Denne masteroppgaven ser på hvordan feil sprer seg gjennom et nettverk. En enkel modell for feil- og reparasjonsdynamikk blir implementert for å simulere feilspredning. I modellen blir nettverkskomponenter forstyrret og ...
    • Entropy production beyond the thermodynamic limit from single-molecule stretching simulations 

      Bering, Eivind; Kjelstrup, Signe; Bedeaux, Dick; Rubi, Miguel; de Wijn, Astrid S. (Peer reviewed; Journal article, 2020)
      Single-molecular systems are a test bed to analyze to what extent thermodynamics applies when the size of the system is drastically reduced. Isometric and isotensional single-molecule stretching experiments and their ...
    • Friction Fluctuations of Gold Nanoparticles in the Superlubric Regime 

      Dietzel, Dirk; de Wijn, Astrid S.; Vorholzer, Matthias; Schirmeisen, André (Journal article; Peer reviewed, 2018)
      Superlubricity, or alternatively termed structural (super)lubrictiy, is a concept where ultra-low friction is expected at the interface between sliding surfaces if these surfaces are incommensurate and thus unable to ...
    • Friction vs. Area Scaling of Superlubric NaCl-Particles on Graphite 

      Hartmut, Felix; Dietzel, Dirk; de Wijn, Astrid S.; Schirmeisen, André (Journal article; Peer reviewed, 2019)
      Structural lubricity is an intriguing tribological concept, where extremely low friction is anticipated, if two surfaces in relative motion do not share the same lattice structure and consequently instabilities originating ...
    • How square ice helps lubrication 

      de Wijn, Astrid S.; Pettersson, Lars G M (Journal article, 2017)
      In the context of friction we use atomistic molecular-dynamics simulations to investigate water confined between graphene sheets over a wide range of pressures. We find that thermal equilibration of the confined water is ...
    • Imaging high-speed friction at the nanometer scale 

      Thorén, Per-Anders; de Wijn, Astrid S.; Borgani, Riccardo; Forchheimer, Daniel; Haviland, David B. (Journal article; Peer reviewed, 2016)
      Friction is a complicated phenomenon involving nonlinear dynamics at different length and time scales. Understanding its microscopic origin requires methods for measuring force on nanometer-scale asperities sliding at ...
    • Kinetic Theory and Shear Viscosity of Dense Dipolar Hard Sphere Liquids 

      Pousaneh, Faezeh; de Wijn, Astrid S. (Peer reviewed; Journal article, 2020)
      Transport properties of dense fluids are fundamentally challenging, because the powerful approaches of equilibrium statistical physics cannot be applied. Polar fluids compound this problem, because the long-range interactions ...
    • A Legendre–Fenchel Transform for Molecular Stretching Energies 

      Bering, Eivind; Bedeaux, Dick; Kjelstrup, Signe; de Wijn, Astrid S.; Latella, Ivan; Rubi, Miguel (Peer reviewed; Journal article, 2020)
      Single-molecular polymers can be used to analyze to what extent thermodynamics applies when the size of the system is drastically reduced. We have recently verified using molecular-dynamics simulations that isometric and ...
    • Nanoscale Simulations of Wear and Viscoelasticity of a Semi-Crystalline Polymer 

      Vacher, Robin Sam; de Wijn, Astrid S. (Peer reviewed; Journal article, 2020)
      We investigate the underlying tribological mechanisms and running-in process of a semi-crystalline polymer using molecular-dynamics simulations. We subject a slab of simulated polyvinyl alcohol to a sliding contact asperity ...
    • Shear viscosity of pseudo hard-spheres 

      Pousaneh, Faezeh; de Wijn, Astrid S. (Journal article; Peer reviewed, 2019)
      We present molecular dynamics simulations of pseudo hard sphere fluid (generalized WCA potential with exponents (50, 49) proposed by Jover et al. [J. Chem. Phys 137, (2012)] using GROMACS package. The equation of state and ...
    • Stochastic modelling of tyrosine kinase inhibitor rotation therapy in chronic myeloid leukaemia 

      Lindstrom, H Jonathan G; de Wijn, Astrid S.; Friedman, Ran (Journal article; Peer reviewed, 2019)
      Background Resistance towards targeted cancer treatments caused by single nucleotide variations is a major issue in many malignancies. Currently, there are a number of available drugs for chronic myeloid leukaemia (CML), ...
    • Stretching and breaking of PEO nanofibres. A classical force field and ab initio simulation study 

      Bering, Eivind; de Wijn, Astrid S. (Peer reviewed; Journal article, 2020)
      The burgeoning development of nanotechnology is allowing us to construct more and more nano-scale systems in the real world that used to only exist in computer simulations. Among them, nanofibres made of only a few aligned ...
    • The Vanishing water/oil interface in the presence of antagonistic salt 

      Glende, Gudrun; de Wijn, Astrid S.; Pousaneh, Faezeh (Peer reviewed; Journal article, 2020)
      Antagonistic salts are salts that consist of hydrophilic and hydrophobic ions. In a binary mixture of water and an organic solvent, these ions preferentially dissolve into different phases. We investigate the effect of an ...