On-the-fly clustering for exascale molecular dynamics simulations.

The data presented here demonstrates the stability of void nucleation across various sample cross sections. We tested cross sections of 10 by 10 nanometers, 30 by 130 nanometers, 100 by 100 nanometers, and 1 micron by 1 micron. The results showed that all cross sections yielded similar outcomes. While a 10 nanometer cross section might seem sufficient for studying the phenomena, the 1 by 1 micron simulation was crucial for validating our findings.

Additionally, when examining the global distribution of void volumes, the limited data from the smaller cross sections would not allow us to differentiate between a log-normal and other distribution forms. In this instance, the larger simulation size enabled us to reject the hypothesis of a log-normal distribution, indicating a more complex form.

Furthermore, the right side of the slide illustrates the evolution of the number of voids and their volume distribution over time. For a macroscopic model, it is essential to consider this evolution in volume distribution. Overall, the analysis conducted using these algorithms provides valuable insights into the dynamics of void nucleation and growth.