Unravelling the interplay between hydrogen and grain boundary of α-Fe under different concentration and strain rate via neural network interatomic potential

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To find these crucial border points, we employed a clever technique based on the Ford-Fulkerson algorithm. By simulating "flooding" roads with traffic from random start/end points, we could identify the natural bottlenecks – the "minimum cut" in graph theory terms. These bottlenecks became our border points.