Abstract:Power outages caused by extreme weather events, such as hurricanes, can significantly disrupt essential services and delay recovery efforts, underscoring the importance of enhancing our infrastructure's resilience. This study investigates the spread of power outages during hurricanes by analyzing the correlation between the network of critical infrastructure and outage propagation. We leveraged datasets from Hurricanemapping.com, the North American Energy Resilience Model Interdependency Analysis (NAERM-IA), and historical power outage data from the Oak Ridge National Laboratory (ORNL)'s EAGLE-I system. Our analysis reveals a consistent positive correlation between the extent of critical infrastructure components accessible within a certain number of steps (k-hop distance) from initial impact areas and the occurrence of power outages in broader regions. This insight suggests that understanding the interconnectedness among critical infrastructure elements is key to identifying areas indirectly affected by extreme weather events.
Abstract:Machine learning (ML) techniques and atomistic modeling have rapidly transformed materials design and discovery. Specifically, generative models can swiftly propose promising materials for targeted applications. However, the predicted properties of materials through the generative models often do not match with calculated properties through ab initio calculations. This discrepancy can arise because the generated coordinates are not fully relaxed, whereas the many properties are derived from relaxed structures. Neural network-based potentials (NNPs) can expedite the process by providing relaxed structures from the initially generated ones. Nevertheless, acquiring data to train NNPs for this purpose can be extremely challenging as it needs to encompass previously unknown structures. This study utilized extended ensemble molecular dynamics (MD) to secure a broad range of liquid- and solid-phase configurations in one of the metallic systems, nickel. Then, we could significantly reduce them through active learning without losing much accuracy. We found that the NNP trained from the distilled data could predict different energy-minimized closed-pack crystal structures even though those structures were not explicitly part of the initial data. Furthermore, the data can be translated to other metallic systems (aluminum and niobium), without repeating the sampling and distillation processes. Our approach to data acquisition and distillation has demonstrated the potential to expedite NNP development and enhance materials design and discovery by integrating generative models.