High stability configurations occurred when the interwall spacing was approximately 3.3 Å and a zigzag tube was in the outer position or when the interwall spacing was approximately 3.5 Å and an armchair tube was in the outer position.
According to our analysis of the energetic stability, chair configuration is not energetically the most favorable among the three considered configurations of one-side semihydrogenation.
Kinematic analysis and simulation of some typical configurations show that the velocity differences among mechanism components themselves and the components and their abutting components could exert influences on its working stability during configuration transformation.
This prevents the catalytic domain, which is responsible for catalytic activity, from being unfolded and dysfunction due to changes in the structural stability and configuration.
Based on the analyses of the structure stability, the configurations with Au located at the hollow position are the most stable.
To design the oscillators based on high stability classical configurations used in quartz crystal microbalance sensor systems (QCM), the simulation is essential due to the high complexity of the mathematical algorithms to be implemented.
So, we need objective criteria to evaluate the quality of clustering, i.e. how well the clusters match the data, and the stability of configurations resulting from different runs.
However, it can be explained qualitatively by considering the entropic contribution to duplex stability from configurations of differing perfect match length.
To solve the problem, stability conditions of configuration transformation are proposed.
