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10 results for “Dynamic wetting”
Atomistic trajectories from ab-initio molecular dynamics simulations of wetted TiO2 nanoparticle
<p>This repository contains atomistic trajectories from ab-initio molecular dynamics simulations of water and TiO2 nanoparticle described in the paper:</p> <p>E. G. Brandt, L. Agosta and A.P.Lyubartsev, " Reactive wetting properties of TiO2 nanoparticles predicted by ab initio molecular dynamics simulations", Nanoscale, 8, 13385-13398 (2016) DOI: 10.1039/c6nr02791a</p> <p>The trajectories are saved in the .xtc format, and initial structures with specification of atom types are given in the .pdb format.</p> <p>The name of each file contains brief information about the simulated system:</p> <p>TiO2 : composition of the nanoparticle<br> n24 : number of TiO2 units in the nanoparticle<br> anatase/brookite/rutile : type of crystall structure<br> - a number 0 - 30 : number of water molecules in the simulation<br> 2fs - the time step</p> <p>For more details, see the referred paper</p>
Dynamic strength characterisation of wet granular ice layers
<p>Dataset for the research paper "Dynamic strength characterisation of wet granular ice layers" submitted to the International Journal of Impact Engineering.</p>
Dataset and simulation files on Quantifying Wetting Dynamics with Triboelectrification
<p>The uploaded data contains software and results about the simulation of Triboelectrification and Wetting Dynamics of Multiscale Polymer Surfaces.</p> <p>Folders structure:<br> A) Folder name: NanopillarTextureDropletSim<br> 1) Wolfram Mathematica Notebook file "laplace.solvers.random.nb";<br> Code for the simulation of droplet wetting on a nanopillar forest (nanopillar surface imported from input file). It consists of three sections: one for FEM simulation on deterministic forest arrangement (section fem), one for analytical modelling of droplet wetting on random forest (section fem random measured - analytical), and the final section with the FEM simulation on the random forest (fem random generated - FEM). The different sections return embedded results (graphs or numerical) and results saved to file.<br> 2) Input file of (single realization of) nanopillar forest "pillars.random.xls";<br> Single realization of nanopillar forest, xls file. Measured from optical acquisition. Needed as input for the "laplace.solvers.random.nb".<br> B) Folder name: MicrocubeTextureDropletSim<br> 1) Wolfram Mathematica Notebook file "MicroTextureGenerator.nb";<br> Code for generation of the random microcubes texture. The different sections return embedded results (graphs or numerical) and results saved to file, such as the file "functionpython.py" used as input surface for FEniCS wetting mchanics simulation.<br> 2) FEniCS input file "contact.angle.3D_mesh.refinement.v3.2018.py";<br> Python code to run simulation of wetting dynamics with FEniCS FEM solver. The code consists of a main computation loop and several subroutines, each dedicated to perform specific computation step (such as adaptive mesh refinement nearby triple lines). The most important numerical parameters are N (e.g. with assignment N = 128) controlling the initial side discretization number of the computation square, and max_number_of_refinements (e.g with assignment max_number_of_refinements = 4) which controls the number of consecutive refinements of the solution near the triple lines. The code will save several *.pvd files containing the deformed droplet surface (top surface) and corresponding bottom surface. The code will also save the file "wet_area.dat", which contains (in each line) the (dimensionless) applied squeezing pressure, the normalized wetting area and the droplet free-surface normalized area.<br> 3) Wolfram Mathematica Notebook file "contact.angle.micro.one.plate.nb";<br> The file is used to simulate the whole droplet contact on single plate, under constant droplet volume. The different sections return embedded results (graphs or numerical) and results saved to file. As input, among the other physical parameters, the effective contact angle is needed.<br> 4) Wolfram Mathematica Notebook file "contact.angle.micro.nb";<br> The code consists of two sections, the first for droplet on single plate and the second for the droplet among two plates. In particular, the second section allows to determine the penetration vs squeezing load for the two-plates case. As input, among the other physical parameters, the effective contact angles are needed.<br> C) Folder name: Sloshing<br> 1) Wolfram Mathematica Notebook file "cylinder.sloshing.nb";<br> It contains code for the simulation of sloshing dynamics in a partially-filled tank, as well as extra analysis on the sloshing dynamics.<br> D) Folder name: Example.FEniCS.results<br> It contains a full set of FEniCS simulation results (at three simulated squeezing pressures) for the input python code "temp.contact.angle.3D_mesh.refinement.v3.2018.py".</p>
Data supplement for "Wetting dynamics under periodic switching on different scales: Characterization and mechanisms"
<p>Data set and python code to recreate the figures of "Wetting dynamics under periodic switching on different scales: Characterization and mechanisms". Additionally, it includes the oomph-lib Code to reproduce the data for the simulations in the mesoscopic thin-film model.</p>
Data supplement for "Stick-slip Dynamics in the Forced Wetting of Polymer Brushes"
<p>This dataset contains supplementary data for the following publication:</p> <p>Greve, D., Hartmann, S. & Thiele, U.<br> Stick-slip Dynamics in the Forced Wetting of Polymer Brushes<br> Soft Matter, 2023, 19, 4041-4061</p> <p>We provide the source files and data for all figures as well as a video of the stick-slip motion of a liquid front on a polymer brush substrate corresponding to the data shown in Figs. 10 & 11 of the paper.</p>
Drought-driven wildfire impacts on structure and dynamics in a wet Central Amazonian forest
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Experimental data: "Dynamical clustering and wetting phenomena in inertial active matter".
<p>In each zip folder, we report experimental data for shaker frequency f=90 Hz, 120 Hz, 150 Hz at different packing fraction, corresponding to different number of particles N=30, 60, 90, 120, 150, 180, 210, 240</p>
Tree species of wet tropical forests differ in their tissue biochemistry and effects on soil carbon dynamics
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source data for "Dissecting the role of hydroxyl moiety at C14 in (+)-opioid based TLR4 antagonists via wet-lab experiments and molecular dynamics simulations"
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Efficacy of Endoscopic Ultrasound Guided Liver Biopsy Using Dynamic Wet Technique
ClinicalTrials.gov study NCT06833619. IPD Sharing: Not stated. Countries: 1. Publications: 0.
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