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The shock strength dependent formation of diamond represents one of the mostintriguing questions in graphite research. Using ab initio DFT-trained carbonGNN model, we observe a strength-dependent graphite transition under shock. Thepoor sliding caused by scarce sliding time under high-strength shock formshexagonal diamond with an orientation of (001)G//(100)HD+[010]G//[010]HD; underlow-strength shock, cubic diamond forms after enough sliding time, unveilingthe strength-dependent graphite transition. We provide computational evidenceof the strength-dependent graphite transition from first principles, clarifyingthe long-term shock-induced hexagonal formation and structuralstrength-dependent trend source.

Strength-dependent Transition of Graphite Under Shock Condition Resolved by First Principles