The thermodynamics of a homopolymer chain with the Lennard-Jones (LJ) potential was studied by the multicanonical Monte Carlo method. The results confirm there indeed exists a liquid–solid-like first-order transition at lower temperatures for a free-joint chain, revealing that the transition is a characteristic of a homopolymer chain, independent of the algorithms and potential used in simulation.
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Liang et al. (2000) studied this question.
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