Ta　barrier　layers　are　commonly　used　in　microelectronic　devices　to　prevent　direct　Cu-Si　contact.　To　better　understand　the　deposition　mechanism　of　Cu　seed　layers　on　Ta　barriers,　which　is　crucial　for　improving　film　quality,　we　conducted　molecular　dynamics　simulations　to　analyze　this　process　at　the　atomic　level.　The　investigation　focused　on　analyzing　the　effects　of　deposition　temperature　and　incident　energy　on　film　surface　roughness,　interface　mixing　and　dislocation　defects,　systematically　elucidated　the　underlying　mechanisms.　Simulation　results　indicate　that　only　a　minor　amount　of　interface　mixing　occurs　when　the　deposition　energy　approaches　40　eV,　confirming　the　effectiveness　as　a　barrier　material.　At　lower　deposition　energies,　increasing　the　energy　significantly　reduces　the　surface　roughness　of　the　Cu　seed　layer,　but　beyond　5　eV,　it　stabilizes　around　0.9　Å.　Dislocation　density　continuously　decreases　substantially　with　increasing　energy.　The　deposition　temperature　is　positively　correlated　with　the　surface　roughness,　while　dislocation　defects　fluctuate　with　temperature,　peaking　near　400　K　and　reaching　minimal　values　near　600　K.　With　further　increases　in　temperature,　the　dislocation　density　begins　to　rise　slowly.　Consequently,　this　work　conducted　a　comprehensive　analysis　of　the　deposition　mechanism,　which　has　significant　implications　for　practical　deposition　processes　of　Cu　seed　layers　in　semiconductor　devices,　offering　novel　insights　for　the　microscopic　analysis　of　deposition　parameters　applicable　to　thin　film　deposition　in　other　contexts.　©　2024　Elsevier　B.V.