This paper studies the structural evolution of （AgCo）201 clusters with different Co concentrations under various temperature conditions by using molecular dynamics with the embedded atom method. The most stable position for Co atoms in the cluster is the subsurface layer at low temperature （lower than 200 K for the Ag200Col cluster）. The position changes to the core layer with the increase of temperature, but there is an energy barrier in the middle layer. This makes the Ag-Co cluster form an Ag Co-Ag three-shell onion-like configuration. When the temperature is high enough [higher than 800 K for （AgCo）2m clusters with 50% Co], Co atoms can obtain enough energy to overcome the energy barrier and the cluster forms an Ag-Co core-shell configuration. Amorphization for the onion-like and core-shell clusters is induced by the large lattice misfit at Ag-Co interfaces. The structural evolution in the Ag-Co cluster is related to the release of excess energy.
Al-Ni hypereutectic alloys with various compositions were solidified under various magnetic field con- ditions to investigate the alignment of primary Al3Ni phases. The results showed that the application of high magnetic fields could improve the homogeneity of the primary Al3Ni phase distribution and induce the alignment of primary Al3Ni phases in the direction perpendicular to the magnetic field direction to form chain-like structures. However, the alignment was different from the orientation of the Al3Ni phases. Furthermore, the degree of the alignment decreased with the increasing concentration of Ni element. This can be attributed to the combination effects of high magnetic field and alloy composition on the concentration field around the crystallized primary Al3Ni crystals.
WANG Qiang, WANG ZhongYing, LIU Tie, WANG ChunJiang, ZHANG Chao & HE JiCheng Key Laboratory of Electromagnetic Processing of Materials (Ministry of Education), Northeastern University, Shenyang 110004, China
This paper studies the coalescence of heteroclusters Au767 and Ag767 by using molecular dynamics with the embedded atom method, where layer atomic energy is employed to describe the potential energy variation of per atom in different layers along radial direction. The results show that the coalescence is driven by releasing the atomic energy of the coalesced zone. The deformation, which is induced by substitutional and vacancy diffusion during the coalescence, makes the coalesced cluster disorder. If the summation of the thermal energy and the released atomic energy is large enough to keep the disorder state, the clusters form a metastable liquid droplet; otherwise, the clusters coalesce into a solid cluster when the coalesced cluster reaches the equilibrium state, and the coalesced cluster experiences liquid to solid ordering changes during the coalescence of a solid Au767 with a liquid Ag767 and a liquid Au767 with a liquid Ag767. The centre of figure of the cluster system is shifted during the coalescence process, and higher coalescence temperature causes larger shift degree.
