The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation.It is found that the initial thermal s...The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation.It is found that the initial thermal stability and earliest stage evolution of the local atomic clusters show no strong correlation with their initial short-range orders,and this leads to an observation of a novel symmetry convergence phenomenon,which can be understood as an atomic structure manifestation of the ergodicity.Furthermore,in our system we have quantitatively proved that the crucial factor for the thermal stability against crystallization exhibited by the metallic glass is not the total amount of icosahedral clusters,but the degree of global connectivity among them.展开更多
Molecular dynamics simulations are carried out to study atomic diffusion in the explosive welding process of NisoTis0-Cu （at.%）. By using a hybrid method which combines molecular dynamics simulation and classical di...Molecular dynamics simulations are carried out to study atomic diffusion in the explosive welding process of NisoTis0-Cu （at.%）. By using a hybrid method which combines molecular dynamics simulation and classical diffusion the- ory, the thickness of the diffusion layer and the atomic concentration distribution across the welding interface are obtained. The results indicate that the concentration distribution curves at different times have a geometric similarity. According to the geometric similarity, the atomic concentration distribution at any time in explosive welding can be calculated. NisoTis0- Cu explosive welding and scanning electron microscope experiments are done to verify the results. The simulation results and the experimental results are in good agreement.展开更多
基金supported by the National Natural Science Foundation of China (Grant Nos. 52031016 and 11804027)the China Scholarship Council for financial support during part of this work
文摘The early stage evolution of local atomic structures in a multicomponent metallic glass during its crystallization process has been investigated via molecular dynamics simulation.It is found that the initial thermal stability and earliest stage evolution of the local atomic clusters show no strong correlation with their initial short-range orders,and this leads to an observation of a novel symmetry convergence phenomenon,which can be understood as an atomic structure manifestation of the ergodicity.Furthermore,in our system we have quantitatively proved that the crucial factor for the thermal stability against crystallization exhibited by the metallic glass is not the total amount of icosahedral clusters,but the degree of global connectivity among them.
基金supported by the National Natural Science Foundation of China(Grant Nos.10732010,10972010,11332002,and 11028206)
文摘Molecular dynamics simulations are carried out to study atomic diffusion in the explosive welding process of NisoTis0-Cu （at.%）. By using a hybrid method which combines molecular dynamics simulation and classical diffusion the- ory, the thickness of the diffusion layer and the atomic concentration distribution across the welding interface are obtained. The results indicate that the concentration distribution curves at different times have a geometric similarity. According to the geometric similarity, the atomic concentration distribution at any time in explosive welding can be calculated. NisoTis0- Cu explosive welding and scanning electron microscope experiments are done to verify the results. The simulation results and the experimental results are in good agreement.
