Hi everyone,
I was building a composite to simulate the adhesion energy between the substrate and the composites following the tutorial. As for the substrates, I chose PE, PP, and PTFE.
Here is my procedure: 1. build the polymer chain 2. using AC to construct the confined layer (substrate and composite) 3. using forcite to do the geometry optimization of each structure 4. anneal the substrate 5. using the building layer tool to construct the 2 layer structure.
Here is my problem: After I built this layer, I found that the confined layer is not useful. Some chain ran out of the layer from the substrate so that I can not build total contact with my composite. I was wonder if one of my procedures is not correct so that this problem comes out. I tried to use atomic way to cleave my layers but the structure is not stable as some chain is eliminated.
Greatly hope someone could give me some guidance! The following is one of my structures and the other one is what I want (but it is incorrect).
Thanks in advance,
Jamie