Microcanonical analyses of homopolymer aggregation processes.

Using replica-exchange multicanonical Monte Carlo simulation, the aggregates of two homopolymers were numerically investigated through the microcanonical analysis method. The microcanonical entropy showed one convex function in the transition region, leading to a negative microcanonical specific heat. The origin of temperature backbending was the rearrangement of the segments during the process of aggregation; this aggregation process proceeded via a nucleation and growth mechanism. It was observed that the segments with a sequence number from 10 to 13 in the polymer chain have leading effects on the aggregation.