For the first time, a molecular dynamics simulation study of 50000 atoms has been performed for the transition mechanisms of the microstructure configurations of liquid metal Al during forming processes of amorphous s...For the first time, a molecular dynamics simulation study of 50000 atoms has been performed for the transition mechanisms of the microstructure configurations of liquid metal Al during forming processes of amorphous state by rapid cooling. Not only have various bond types been researched, but also icosahedra, defective icosahedra and Frank Kasper polyhedra cluster structures were discussed. A very clear picture of how the metal atoms gather to form clusters and how the clusters evolve further has been obtained. Some discussion corresponding to the microscopic mechanisms of the simulation results was also given. These will give an important enlightenment to understand the forming mechanisms and their microscopic processes of amorphous structures. [展开更多
The given work studies the reason of the change of a superfluous current near crystallization temperature of an amorphous αPbSb metal alloy and at the same time founds out the influence of ultrasonic processing (USP)...The given work studies the reason of the change of a superfluous current near crystallization temperature of an amorphous αPbSb metal alloy and at the same time founds out the influence of ultrasonic processing (USP) on the properties of αPbSb-nSi solar elements (SE), made by Shottki diodes technology (ShD) with a metal alloy. It is found that occurrence of a superfluous current αPbSb-nSi ShD under the influence of thermoannealing is connected with changes of structure of an amorphous film of metal at transition in a polycrystalline condition. VAC damaged αPbSb-nSi Sh Dare very sensitive to annealing time. Eventually, even at room temperature, level of a superfluous current decreases, i.e. “the wound” put by mechanical damage sort of heals, restoration process occurs the faster, the higher the annealing temperature is. Function of γt annealing parameters changes in an interval and the influence USP on photo-electric properties αPbSb-nSi SE depends on the chosen UIT mode.展开更多
The deformation-induced nano-crystallization behavior of amorphous pure Ni was investigated by using a molecular dynamics simulation. The microevolution mechanism of the nano-crystallization, the crystallization proce...The deformation-induced nano-crystallization behavior of amorphous pure Ni was investigated by using a molecular dynamics simulation. The microevolution mechanism of the nano-crystallization, the crystallization process in the multicomponent amorphous Ni-Pd alloys and the temperature effect on the nano-crystallization behavior in amorphous metals were studied. The results show that the small nano-crystalline grain will nucleate and grow during the compression deformation. The deformation induces the growth of the ordered clusters in the amorphous metals and the nano-crystalline grain grows under the shearing combination and shearing deposition. The nano-crystalline grain will nucleate in a lower strain under a higher temperature. The combining severe plastic deformation with thermal annealing treatments presents a new opportunity for developing bulk nano-crystalline materials with controlled microstructures.展开更多
A new microstructure model is developed for amorphous alloys,so called Cluster medel, in which the amorphous phase is thought of composing of randomly distributed ordered clusters of different sizes.Thermodynamic calc...A new microstructure model is developed for amorphous alloys,so called Cluster medel, in which the amorphous phase is thought of composing of randomly distributed ordered clusters of different sizes.Thermodynamic calculation on this model deduces a parameter describing the glass forming ability of metallic alloys:α_c=(1-2.08/Φ_m)T_g/T_m,where T_g is gass transition temperature,T_m is the melting temperature,and Φ_m is entralpy change of melting.It is believed that easy glass forming alloy systems have larger values of a_c.This new criterion of GFA not only provides the theoretical background for several GFA criteria in the literature cited,but also can predict the GFA of many alloy systems more reasonably and accurately.展开更多
文摘For the first time, a molecular dynamics simulation study of 50000 atoms has been performed for the transition mechanisms of the microstructure configurations of liquid metal Al during forming processes of amorphous state by rapid cooling. Not only have various bond types been researched, but also icosahedra, defective icosahedra and Frank Kasper polyhedra cluster structures were discussed. A very clear picture of how the metal atoms gather to form clusters and how the clusters evolve further has been obtained. Some discussion corresponding to the microscopic mechanisms of the simulation results was also given. These will give an important enlightenment to understand the forming mechanisms and their microscopic processes of amorphous structures. [
文摘The given work studies the reason of the change of a superfluous current near crystallization temperature of an amorphous αPbSb metal alloy and at the same time founds out the influence of ultrasonic processing (USP) on the properties of αPbSb-nSi solar elements (SE), made by Shottki diodes technology (ShD) with a metal alloy. It is found that occurrence of a superfluous current αPbSb-nSi ShD under the influence of thermoannealing is connected with changes of structure of an amorphous film of metal at transition in a polycrystalline condition. VAC damaged αPbSb-nSi Sh Dare very sensitive to annealing time. Eventually, even at room temperature, level of a superfluous current decreases, i.e. “the wound” put by mechanical damage sort of heals, restoration process occurs the faster, the higher the annealing temperature is. Function of γt annealing parameters changes in an interval and the influence USP on photo-electric properties αPbSb-nSi SE depends on the chosen UIT mode.
基金Project(10502047) supported by the National Natural Science Foundation of China Project (2005038166) supported by China Postdoctoral Science Foundation
文摘The deformation-induced nano-crystallization behavior of amorphous pure Ni was investigated by using a molecular dynamics simulation. The microevolution mechanism of the nano-crystallization, the crystallization process in the multicomponent amorphous Ni-Pd alloys and the temperature effect on the nano-crystallization behavior in amorphous metals were studied. The results show that the small nano-crystalline grain will nucleate and grow during the compression deformation. The deformation induces the growth of the ordered clusters in the amorphous metals and the nano-crystalline grain grows under the shearing combination and shearing deposition. The nano-crystalline grain will nucleate in a lower strain under a higher temperature. The combining severe plastic deformation with thermal annealing treatments presents a new opportunity for developing bulk nano-crystalline materials with controlled microstructures.
文摘A new microstructure model is developed for amorphous alloys,so called Cluster medel, in which the amorphous phase is thought of composing of randomly distributed ordered clusters of different sizes.Thermodynamic calculation on this model deduces a parameter describing the glass forming ability of metallic alloys:α_c=(1-2.08/Φ_m)T_g/T_m,where T_g is gass transition temperature,T_m is the melting temperature,and Φ_m is entralpy change of melting.It is believed that easy glass forming alloy systems have larger values of a_c.This new criterion of GFA not only provides the theoretical background for several GFA criteria in the literature cited,but also can predict the GFA of many alloy systems more reasonably and accurately.
