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A method of particle-in-cell (PIC) has been introduced to simulate beam-wave interaction of millimeter wave coupled-cavity traveling wave tube (TWT). The principle of PIC was analyzed theoretically. Both the move track of particles of electron beam and the change of electric field were simulated before and after beam-wave interaction with our self-designed PIC software. The simulation results show that dynamic beam-wave interaction of millimeter wave TWT can be expressed accurately using PIC, which may provide guidance for the research of beam-wave interaction of TWT.