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Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF molecular dynamics study

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Phys. Chem. Chem. Phys., 2016, 18,761-771
DOI: 10.1039/C5CP06108C, Paper
Md Mahbubul Islam, Chenyu Zou, Adri C. T. van Duin, Sumathy Raman
Hydrogen embrittlement (HE) is a well-known material phenomenon that causes significant loss in the mechanical strength of structural iron and often leads to catastrophic failures.
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