Molecular simulation study on the change of polymer structure during yielding

A better understanding of a recently raised argument on whether there occurs a structure change during yielding has been acquired by using molecular simulation. That is, when monitoring the displacements of all atoms before and after the yield, a structure transition does occur, which is the atomic jump that coordinates the amount of the atoms in the polymer and makes a large step beyond [similar to] 0.05 nm for all those atoms. Results indicate that the complex of polymer chain packing induces the multiple atomic jumps around the yield point. This explains why polymers have a broader yielding peak.