Molecular　dynamics　(MD)　method　was　used　to　study　mechanical　properties　of　copper-graphite　composite　interface.　Mode　I　fracture　of　the　interface　of　copper-graphite　composite　was　modeled　by　considering　fixed　and　free　boundary　conditions,　which　means　slipping　constraint　conditions　for　atomic　layers　in　the　composite.　The　stress　near　crack　tip　and　the　energy　changes　of　the　system　are　obtained.　Then　a　cohesive　traction-separation　law　of　copper-graphite　interface　can　also　be　obtained　by　using　the　MD　simulation.　For　the　purpose　of　comparisons,　a　modeling　of　interfacial　fracture　of　the　composite　by　using　a　zero-thickness　cohesive　finite　element　(CFE)　was　carried　out.　It　is　found　that　there　is　a　stress　concentration　but　no　singularity　for　the　normal　stress　at　the　crack　tip　in　interface　obtained　by　using　the　present　MD　simulation　and　CFE　method.　While　in　the　interface　away　from　the　crack　tip,　the　obtained　stress　is　consistent　with　the　solution　of　classical　interfacial　fracture　mechanics.　(C)　2013　Published　by　Elsevier　Ltd.