Due to the limitations of short range potentials and conventional MD as discussed above, elevated temperatures are used in the following.
Increased temperatures are expected to compensate the overestimated diffusion barriers.
These are overestimated by a factor of 2.4 to 3.5.
Due to the limitations of short range potentials and conventional MD as discussed above, elevated temperatures are used in the following.
Increased temperatures are expected to compensate the overestimated diffusion barriers.
These are overestimated by a factor of 2.4 to 3.5.