Browsing NTNU Open by Author "de Wijn, Astrid S."
Now showing items 1-20 of 21
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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 ... -
Computational study of the dissolution of cellulose into single chains: the role of the solvent and agitation
Bering, Eivind; Torstensen, Jonathan Økland; Lervik, Anders; de Wijn, Astrid S. (Journal article; Peer reviewed, 2022)We investigate the dissolution mechanism of cellulose using molecular dynamics simulations in both water and a mixture solvent consisting of water with Na+, OH− and urea. As a first computational study of its kind, we apply ... -
Dynamics of collective action to conserve a large common-pool resource
Andersson, David; Bratsberg, Sigrid; Ringsmuth, Andrew; de Wijn, Astrid S. (Peer reviewed; Journal article, 2021)A pressing challenge for coming decades is sustainable and just management of large-scale common-pool resources including the atmosphere, biodiversity and public services. This poses a difficult collective action problem ... -
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 ... -
Identifying ski roughness using data driven approaches
Al-Jubouri, Bassma Khaldoon Abduljabbar; de Wijn, Astrid S. (Journal article, 2021)In skiing sport, snow friction is a crucial factor in determining the ski roughness that can produce high speed and quick finishing time for a skier. However, snow friction is influenced by many factors associated with ... -
Image Processing of 2-D Snow Images for Cross-Country Skiing
Rosenberg, Fredrik (Master thesis, 2020)Snø er et porøst og komplekst materiale med innflytelse på både vitenskapelige, teknologiske og sosiale arenaer. Dette gjør analyse av snø til en viktig, men krevende oppgave. Tredimensjonal snø analyse gir nøyaktig ... -
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 ... -
Molecular-dynamics simulations of the emergence of surface roughness in a polymer under compression
Vacher, Robin Sam; de Wijn, Astrid S. (Peer reviewed; Journal article, 2021)Roughness of surfaces is both surprisingly ubiquitous on all length scales and extremely relevant practically. The appearance of multi-scale roughness has been linked to avalanches and plastic deformation in metals. However, ... -
Nanoscale friction and wear of a polymer coated with graphene
Vacher, Robin Sam; de Wijn, Astrid S. (Journal article; Peer reviewed, 2022)Friction and wear of polymers at the nanoscale is a challenging problem due to the complex viscoelastic properties and structure. Using molecular dynamics simulations, we investigate how a graphene sheet on top of the ... -
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 ... -
Thermal effects and spontaneous frictional relaxation in atomically thin layered materials
Sheehan, Jennifer; Andersson, David; de Wijn, Astrid S. (Journal article; Peer reviewed, 2021)We study the thermal effects on the frictional properties of atomically thin sheets. We simulate a simple model based on the Prandtl-Tomlinson model that reproduces the layer dependence of friction and strengthening effects ...