Browsing by Author "The Ada Lovelace Centre (STFC)"
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- Simulation dataset for the paper "On the Prospect of Enhancing the Adhesion Strength at Metal−Organic Interfaces via Tensile Strain", ACS Applied Engineering Materials, 2025(2025) Scivetti, IvanThis repository contains the: * generated MD trajectories (MD-trajectories.zip) * relevant settings for MD simulation (relevant-MD-settings.zip) * instructions to extract relevant information from the MD trajectories (process-MD-trajectories.zip) * raw data for the figures (data-for-figures.zip) corresponding to the paper "On the Prospect of Enhancing the Adhesion Strength at Metal−Organic Interfaces via Tensile Strain", ACS Applied Engineering Materials, 2025. Refer to the README.txt files within each folder for further information. The name of the folders and sub-folders for the MD trajectories are named to be self-explanatory.