Coke　formation　on　anode　of　solid　oxide　fuel　cells　(SOFC)　can　lead　to　SOFC　performance　degradation　or　even　failure.　This　paper　investigates　transfer　mechanism　of　carbon　atoms　in　coke　formation　process　on　nickel-based　anode　using　the　reactive　force　field　molecular　dynamics　simulation　(ReaxFF-MD).　The　simulation　results　show　that　the　transfer　processes　of　carbon　atoms　in　methane　reforming　are　composed　of　three　stages,　and　the　alkyl　makes　formation　of　coke　easier　on　the　surface　of　Ni(100).　The　driving　force　of　the　carbon　atoms　diffusion　into　Ni　(100)　changes　from　the　carbon　concentration　difference　to　the　chemical　potential　difference,　which　leads　to　the　generation　of　a　new　phase　of　carbon　and　the　structural　damage　of　the　SOFC　anode.　The　structural　changes　of　Ni　(100)　during　the　carbon　atom　transport　and　precipitation　are　simulated　and　analyzed　to　reveal　the　chemical　reaction　mechanisms　of　coke　formation,　and　provide　theoretical　foundation　for　optimal　design　in　materials　and　operating　parameters　of　SOFC　anode.