Molecular simulation study on the change of polymer structure during yielding

A better understanding of a recently raised argument on whether there occur s a structure change during yielding has been acquired by using molecular s imulation. That is, when monitoring the displacements of all atoms before a nd 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 to0.05 nm for all those atoms. Results indicate t hat the complex of polymer chain packing induces the multiple atomic jumps around the yield point. This explains why polymers have a broader yielding peak.