Simultaneous melting of shell and core atoms, a molecular dynamics study of lithium–copper nanoalloys

摘要: Melting of nanoalloys originates from the alloy surface and gradually propagates into interior region. The thermal stability Li cores Cu shells nanoalloy with size 3.5 nm is studied through molecular dynamics embedded atom method use potential energy, Lindemann index, radial distribution function. Results show that shell core atoms are melted in two steps: first, some migrate to maintain a typical solid state despite system temperature higher than bulk melting point because solidification solid–liquid interface; second, simultaneously at high temperatures. A comparative study Li@Cu different atomic numbers shows enhanced decreasing number within weak binding for thin shells.