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Models for MD simulation of TPU/DP hybrids (grey sphere represents C atom; white sphere represents H atom; red sphere represents O atom; blue sphere represents N atom and blue dashed line represents HBs): (a) hard segment repeating unit; (b) soft segment repeating unit; (c) TPU polymer chain; (d) DP molecule; (e) amorphous cell with a periodic boundary adopted; (f) energy minimization of amorphous cell; (g) hydrogen bonds calculation and (h) free volume analysis.
