The non-linear effects of different initial melt temperatures on the microstructure evolution during the solidification process of liquid Mg7Zn3 alloys were investigated by molecular dynamics simulation, The microstru...The non-linear effects of different initial melt temperatures on the microstructure evolution during the solidification process of liquid Mg7Zn3 alloys were investigated by molecular dynamics simulation, The microstructure transformation mechanisms were analyzed by several methods. The system was found to be solidified into amorphous structures from different initial melt temperatures at the same cooling rate of 1×10^12 K/s, and the 1551 bond-type and the icosahedron basic cluster （12 0 12 0 ） played a key role in the microstructure transition. Different initial melt temperatures had significant effects on the final microstructures. These effects only can be clearly observed below the glass transition temperature Tg; and these effects are non-linearly related to the initial melt temperatures, and fluctuated in a certain range. However, the changes of the average atomic energy of the systems are still linearly related with the initial melt temperatures, namely, the higher the initial melt temperature is, the more stable the amorphous structure is and the stronger the glass forming ability will be.展开更多
（The effect of liquid diffusion coefficients on the microstructure evolution during solidification of primary （Al） phase in Al356.1 alloy was investigated by means of the phase-field simulation using two sets of di...（The effect of liquid diffusion coefficients on the microstructure evolution during solidification of primary （Al） phase in Al356.1 alloy was investigated by means of the phase-field simulation using two sets of diffusion coefficients in liquid phase, while fixing other thermophysical and numerical parameters. The first set is only with impurity coefficients of liquid phase in Arrhenius formula representing only the temperature dependence. While the second set is with the well-established atomic mobility database representing both temperature and concentration dependence. For the second set of liquid diffusion coefficients, the effect of non-diagonal diffusion coefficients on the microstructure evolution in Al356.1 alloy during solidification was also analyzed. The differences were observed in the morphology, tip velocity and composition profile ahead of the tip of the dendrite due to the three cases of liquid diffusivities. The simulation results indicate that accurate databases of mobilities in the liquid phase are highly needed for the quantitative simulation of microstructural evolution during solidification.展开更多
The accuracy of nucleation parameter is a critical factor in the simulation of microstructural evolution during dynamic recrystallization(DRX).Based on the flow stress curve under hot deformation conditions,a new appr...The accuracy of nucleation parameter is a critical factor in the simulation of microstructural evolution during dynamic recrystallization(DRX).Based on the flow stress curve under hot deformation conditions,a new approach is proposed to identify the nucleation parameter during DRX.In this approach,a cellular automaton(CA) model is applied to quantitatively simulate the microstructural evolution and flow stress during hot deformation;and adaptive response surface method(ARSM) is applied as optimization model to provide input parameters to CA model and evaluate the outputs of the latter.By taking an oxygen-free high-conductivity(OFHC) copper as an example,the good agreement between the simulation results and the experimental observations demonstrates the availability of the proposed method.展开更多
To explore the spatial-temporal evolution law of rock mass temperature in high geothermal roadway during mechar^ical ventilation, a series of experiments were conducted based on the physical simulation test system of ...To explore the spatial-temporal evolution law of rock mass temperature in high geothermal roadway during mechar^ical ventilation, a series of experiments were conducted based on the physical simulation test system of thermal and humid environment in high geothermal roadway, which is a method independently developed by China University of Mining and Technology. The results indicate that during ventilation, the disturbed region of the temperature extends gradually from shallow area to deep area in the surrounding rock mass of the roadway. Meanwhile, the temperature increases as the exponential function from shallow area to deep, with steady decrease of the temperature gradient and heat flux. As the ventilation proceeds, the relationship between dimensionless temperature and dimensionless time approximately meets Hill function.展开更多
基金Projects(50831003,51071065,51101022,51102090) supported by the National Natural Science Foundation of China
文摘The non-linear effects of different initial melt temperatures on the microstructure evolution during the solidification process of liquid Mg7Zn3 alloys were investigated by molecular dynamics simulation, The microstructure transformation mechanisms were analyzed by several methods. The system was found to be solidified into amorphous structures from different initial melt temperatures at the same cooling rate of 1×10^12 K/s, and the 1551 bond-type and the icosahedron basic cluster （12 0 12 0 ） played a key role in the microstructure transition. Different initial melt temperatures had significant effects on the final microstructures. These effects only can be clearly observed below the glass transition temperature Tg; and these effects are non-linearly related to the initial melt temperatures, and fluctuated in a certain range. However, the changes of the average atomic energy of the systems are still linearly related with the initial melt temperatures, namely, the higher the initial melt temperature is, the more stable the amorphous structure is and the stronger the glass forming ability will be.
基金Projects (51021063,51301208) supported by the National Natural Science Foundation of ChinaProject (GZ755) supported by Sino-German Center for Promotion of Science+1 种基金Project (2011CB610401) supported by the National Basic Research Program of ChinaProject supported by Shenghua Scholar Program of Central South University,China
文摘（The effect of liquid diffusion coefficients on the microstructure evolution during solidification of primary （Al） phase in Al356.1 alloy was investigated by means of the phase-field simulation using two sets of diffusion coefficients in liquid phase, while fixing other thermophysical and numerical parameters. The first set is only with impurity coefficients of liquid phase in Arrhenius formula representing only the temperature dependence. While the second set is with the well-established atomic mobility database representing both temperature and concentration dependence. For the second set of liquid diffusion coefficients, the effect of non-diagonal diffusion coefficients on the microstructure evolution in Al356.1 alloy during solidification was also analyzed. The differences were observed in the morphology, tip velocity and composition profile ahead of the tip of the dendrite due to the three cases of liquid diffusivities. The simulation results indicate that accurate databases of mobilities in the liquid phase are highly needed for the quantitative simulation of microstructural evolution during solidification.
基金Project(2006CB705401) supported by the National Basic Research Program of China
文摘The accuracy of nucleation parameter is a critical factor in the simulation of microstructural evolution during dynamic recrystallization(DRX).Based on the flow stress curve under hot deformation conditions,a new approach is proposed to identify the nucleation parameter during DRX.In this approach,a cellular automaton(CA) model is applied to quantitatively simulate the microstructural evolution and flow stress during hot deformation;and adaptive response surface method(ARSM) is applied as optimization model to provide input parameters to CA model and evaluate the outputs of the latter.By taking an oxygen-free high-conductivity(OFHC) copper as an example,the good agreement between the simulation results and the experimental observations demonstrates the availability of the proposed method.
基金Project(2014-6121)supported by Fundamental Research Funds for the Central Universities,ChinaProject(51504236)supported by the National Natural Science Foundation of ChinaProject supported by the Priority Academic Program Development of Jiangsu Higher Education Institutions,China
文摘To explore the spatial-temporal evolution law of rock mass temperature in high geothermal roadway during mechar^ical ventilation, a series of experiments were conducted based on the physical simulation test system of thermal and humid environment in high geothermal roadway, which is a method independently developed by China University of Mining and Technology. The results indicate that during ventilation, the disturbed region of the temperature extends gradually from shallow area to deep area in the surrounding rock mass of the roadway. Meanwhile, the temperature increases as the exponential function from shallow area to deep, with steady decrease of the temperature gradient and heat flux. As the ventilation proceeds, the relationship between dimensionless temperature and dimensionless time approximately meets Hill function.
