Using molecular dynamics with embedded-atom-type interatomicpotentials, we simulated the melting behavior of a spherical Ag3055 cluster coated with Ni. The semi-coherent Ag/Ni interface formed at low temperatures acts...Using molecular dynamics with embedded-atom-type interatomicpotentials, we simulated the melting behavior of a spherical Ag3055 cluster coated with Ni. The semi-coherent Ag/Ni interface formed at low temperatures acts as an effective barrier against the surface melting and leads to a substantial superheating of the Ag cluster. The melting point was found to be about 100 K above the equilibrium melting point of the bulk Ag crystal (1230 K±15 K) and about 290 K above that (1040 K) of the free Ag3055 cluster. A superheating of 70 K was observed in the high-temperature differential scanning calorimetry measurement for Ag particles with a mean size of 30 nm embedded in Ni matrix prepared by means of melt-spinning. Melting is initiated locally at the defective interfacial area and then propagates inwards, suggesting a heterogeneously nucleated melting event at the Ag/Ni interface.展开更多
基金This work was supported by the Ministry of Science and Technology of China (Grant No. 1999064505)the National Natural Science Foundation of China (Grant Nos. 59801011, 59931030 and 59841004) the Max-Planck-Society of Germany.
文摘Using molecular dynamics with embedded-atom-type interatomicpotentials, we simulated the melting behavior of a spherical Ag3055 cluster coated with Ni. The semi-coherent Ag/Ni interface formed at low temperatures acts as an effective barrier against the surface melting and leads to a substantial superheating of the Ag cluster. The melting point was found to be about 100 K above the equilibrium melting point of the bulk Ag crystal (1230 K±15 K) and about 290 K above that (1040 K) of the free Ag3055 cluster. A superheating of 70 K was observed in the high-temperature differential scanning calorimetry measurement for Ag particles with a mean size of 30 nm embedded in Ni matrix prepared by means of melt-spinning. Melting is initiated locally at the defective interfacial area and then propagates inwards, suggesting a heterogeneously nucleated melting event at the Ag/Ni interface.
