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The microscopic model of semi-crystalline polymer in high-elastic state is proposed. The model is based on the assumption that, below the melting temperature, the semi-crystalline polymer comprises crystal nuclei connected by stretched chain segments (SCS) with random configuration of monomers. The key factor that stalls the phase transition below the melting temperature is the tension of the SCS. External stress applied to the polymer also shifts the equilibrium and causes unfolding of the nuclei, which enables large reversible deformation of the polymer without loss of integrity. The simple 1D model predicts plateau in stress-strain curve of high-elastic polymer above the yield stress, which agrees with experimental observations. The model prediction for the temperature dependence of polytetrafluoroethylene (PTFE) yield stress in high-elastic state is in satisfactory agreement with experiment.
Machine learning (ML) and artificial intelligence (AI) have the remarkable ability to classify, recognize, and characterize complex patterns and trends in large data sets. Here, we adopt a subclass of machine learning methods viz., deep learnings and
We show that the structural properties and phase behavior of a self-avoiding polymer chain on adhesive substrate, subject to pulling at the chain end, can be obtained by means of a Grand Canonical Ensemble (GCE) approach. We derive analytical express
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The phase diagram of star polymer solutions in a good solvent is obtained over a wide range of densities and arm numbers by Monte Carlo simulations. The effective interaction between the stars is modeled by an ultrasoft pair potential which is logari
We present a Brownian dynamics model of driven polymer translocation, in which non-equilibrium memory effects arising from tension propagation (TP) along the cis side subchain are incorporated as a time-dependent friction. To solve the effective fric