The　classical　heterogeneous　nucleation　theory　explains　that　the　groove　in　the　substrate　is　a　desirable　place　to　breed　a　bubble　nucleus.　However,　the　existing　research　method　cannot　reproduce　the　nucleation　process.　Therefore,　in　the　present　study,　the　molecular　dynamics　simulation　method　is　conducted　to　investigate　the　bubble　nucleation　on　grooved　substrates　with　different　wettability.　The　simple　L-J　liquid　argon　is　heated　by　the　platinum　grooved　substrate,　whose　temperature　is　controlled　by　Langevin　thermostat.　Results　show　that　the　groove　has　significant　impacts　on　bubble　nucleation　from　two　aspects:　improve　thermal　energy　transfer　efficiency　and　support　an　initial　bubble　nucleus.　For　the　substrate　with　a　hydrophilic　groove,　a　visible　bubble　nucleus　generates　on　the　groove　region　from　nothing　because　of　liquid　in　there　obtaining　more　thermal　energy　than　that　on　the　smooth　region　within　the　same　time.　Moreover,　the　nucleation　rate　is　improved　with　the　increase　of　groove　hydrophilicity.　On　the　other　hand,　for　the　substrate　with　a　hydrophobic　groove,　some　residual　gases　form　an　initial　bubble　nucleus　at　the　initial　moment　of　the　nonequilibrium　simulation　stage,　and　it　takes　some　time　to　grow　up.　Furthermore,　a　method　based　on　the　competition　between　atomic　potential　energy　and　atomic　kinetic　energy　is　used　to　explain　the　formation　of　the　bubble　nucleus　on　the　different　wetting　substrates.　The　present　simulation　study　of　bubble　nucleation　on　the　grooved　substrate　is　another　support　for　the　classical　heterogeneous　nucleation　theory.　(C)　2020　Elsevier　Ltd.　All　rights　reserved.