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Capturing the Iron Carburization Mechanisms from the Surface to Bulk

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Reactive force field molecular dynamics is a powerful tool to simulate large-scale reactive events such as catalytic reactions and metallic corrosion, including the carburization or so-called metal... Click to show full abstract

Reactive force field molecular dynamics is a powerful tool to simulate large-scale reactive events such as catalytic reactions and metallic corrosion, including the carburization or so-called metal...

Keywords: carburization; surface bulk; carburization mechanisms; iron carburization; capturing iron; mechanisms surface

Journal Title: Journal of Physical Chemistry C
Year Published: 2020

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