CommPhys_Data.zip

Data for Mechanical cooperation between time-dependent and covalent bonds in molecular damage of polymer networks<br><b>Description:</b> Folders contain simulation data for four different <i>in silico</i> mechanical experiments conducted in LAMMPs.delayedfractureContains three subfolders (run1-run3) each containing 9 folders which correspond to parameter values of {0.075,0.0875,0.1,0.125,0.15,0.17,0.2,0.3,0.4}. These folders contain the output data in the form of a text file "Energy.out" corresponding to the respective simulations. The column headings are as follows: time, sample height, stretch, x-direction stress, y-direction stress, shear stress, potential energy, bond energy, kinetic energy.fractureContains data for single-edge notch fracture simulations.The p_*##*fracture.csv files contain processed data for the number of ruptured and detached bonds as well as the timestep and stretch.The fracturetotaldissipation contains the processed bond dissipation data. Columns are for networks with percolations of 42%, 58%, and 70%. Rows correspond to the Weissenberg number in the following order {0.1,0.2,0.3,0.4,0.5,0.6,0.7,0.8,0.9,1.0,2.0,3.0,4.0,5.0,6.0,7.0,8.0,9.0,10}The three folders contain raw simulation data labeled 001-019 corresponding to the Weissenberg number identified as previously. Each has a text-file "Energy.out" corresponding to the respective simulations. The column headings are as follows: time, sample height, stretch, x-direction stress, y-direction stress, shear stress, number of permanent bonds, number of dynamic bonds , potential energy, bond energy, kinetic energy.load_unloadContains data for uniaxial loading-unloading curves. There are three subfolders p_*## *corresponding to networks with percolations of 42%, 58%, and 70%. Each contains a further 19 subfolders labeled 001-019 corresponding to the Weissenberg number identified as previously. Each has a text-file "Energy.out" corresponding to the respective simulations. The column headings are as follows: time, sample height, stretch, x-direction stress, y-direction stress, shear stress, number of permanent bonds, number of dynamic bonds , potential energy, bond energy, kinetic energy.stressrelaxContains data for stress-relaxation studies. There are three subfolders corresponding to different percolation values.consT_p36 - contains a further 6 subfolders 001-006 corresponding to held stretch values of (1.1,1.5,1.9,2.3,2.7,3.1)consT_p40 - contains three subfolder corresponding to decay force values of (0.0001, 0.0004, 0.004), each have 6 further subfolders 001-006 corresponding to held stretch values of (1.1,1.5,1.9,2.3,2.7,3.1).consT_p60 - contains a further 6 subfolders 001-006 corresponding to held stretch values of (1.1,1.5,1.9,2.3,2.7,3.1)All simulation folders contain a text-file "Energy.out" with column headings as follows: time, sample height, stretch, x-direction stress, y-direction stress, shear stress, number of permanent bonds, number of dynamic bonds , potential energy, bond energy, kinetic energy. Additionally atom.dump files are provided for visualization.