Pre-melting is a phenomenon that below the melting point the liquid-like structure appears at the grainboundary while the grain interior remains a crystal structure. The phase-field crystal method was employed to inve...Pre-melting is a phenomenon that below the melting point the liquid-like structure appears at the grainboundary while the grain interior remains a crystal structure. The phase-field crystal method was employed to investigate the early evolution of the liquid pools in pre-melting regions, mainly involving four structural transformations: solid-solid state → small droplet → large liquid pool → homogeneous liquid melting. The microscopic morphology and free energy variation with different average atomic densities demonstrate that the average atomic density is sensitive to the morphological characteristics of liquid pools. Both two-dimensional and three-dimensional simulation results show that the amplitude reduction of order parameters can promote the order-disorder transition of grain boundaries, causing pre-melting in the edge dislocation aggregation. The relationship between the average atomic density and the width of the liquid pools is verified from thermodynamics, which provides a prerequisite for the application of high-temperature strain in the later stage to some extent.展开更多
A new Mg−10%Al−1%Zn−1%Si alloy with non-dendritic microstructure was prepared by strain induced melt activation(SIMA)process.The effect of compression ratio on the evolution of semisolid microstructure of the experime...A new Mg−10%Al−1%Zn−1%Si alloy with non-dendritic microstructure was prepared by strain induced melt activation(SIMA)process.The effect of compression ratio on the evolution of semisolid microstructure of the experimental alloy was investigated.The results indicate that the average size ofα-Mg grains decreases and spheroidizing tendency becomes more obvious with the compression ratios increasing from 0 to 40%.In addition,the eutectic Mg2Si phase in the Mg−10%Al−1%Zn−1%Si alloy transforms completely from the initial fishbone shape to globular shape by SIMA process.With the increasing of compression ratio,the morphology and average size of Mg2Si phases do not change obviously.The morphology modification mechanism of Mg2Si phase in Mg−10%Al−1%Zn−1%Si alloy by SIMA process was also studied.展开更多
Nylon 10 T and Nylon 10T/1010 samples were synthesized by direct melt polymerization. The non-isothermal crystallization kinetics of Nylon 10 T and Nylon 10T/1010 was investigated by means of differential scanning cal...Nylon 10 T and Nylon 10T/1010 samples were synthesized by direct melt polymerization. The non-isothermal crystallization kinetics of Nylon 10 T and Nylon 10T/1010 was investigated by means of differential scanning calorimetry(DSC). Jeziorny equation and Mo equation were applied to describe the non-isothermal crystallization kinetics of the Nylon 10 T and the Nylon 10T/1010. The activation energies for non-isothermal crystallization were obtained by Vyazovkin's method and Friedman's method, respectively. These results showed that Jeziorny equation and Mo equation well described the non-isothermal crystallization kinetics of the Nylon 10 T and the Nylon 10T/1010. It was found that the values of the activation energy for non-isothermal crystallization of the Nylon 10T/1010 were lower than those of the Nylon 10 T at a given temperature or relative crystallinity degree,which revealed that crystallization ability of the Nylon 10T/1010 was higher. The crystal morphology was observed by means of a polarized optical microscope(POM) and X-ray diffraction(XRD). It was found that the addition of sebacic acid comonomer not only did not change the crystal form of the Nylon 10 T, but also significantly increased the number and decreased the size of spherulites. Comparing with the Nylon 10 T, the crystallization rate was increased with the addition of the sebacic acid comonomer.展开更多
A repulsive vortex\|vortex interaction model was used to numerically study the melting transition of the two\|dimensional vortex system with Monte Carlo method. Then a δ\|function\|like peak in the specific heat was ...A repulsive vortex\|vortex interaction model was used to numerically study the melting transition of the two\|dimensional vortex system with Monte Carlo method. Then a δ\|function\|like peak in the specific heat was observed and the internal energy showed a sharp drop at the melting temperature, which indicated that there exists a first\|order melting transition at finite temperatures. The Lindemann criterion was also investigated and valid, but different from previous simulation results.展开更多
Melting simulation methods are of crucial importance to determining melting temperature of materials efficiently.A high-efficiency melting simulation method saves much simulation time and computational resources.To co...Melting simulation methods are of crucial importance to determining melting temperature of materials efficiently.A high-efficiency melting simulation method saves much simulation time and computational resources.To compare the efficiency of our newly developed shock melting(SM)method with that of the well-established two-phase(TP)method,we calculate the high-pressure melting curve of Au using the two methods based on the optimally selected interatomic potentials.Although we only use 640 atoms to determine the melting temperature of Au in the SM method,the resulting melting curve accords very well with the results from the TP method using much more atoms.Thus,this shows that a much smaller system size in SM method can still achieve a fully converged melting curve compared with the TP method,implying the robustness and efficiency of the SM method.展开更多
基金supported by the National Natural Science Foundation of China (51774254,51774253,51701187,51674226,51804279,51801189)The Science and Technology Major Project of Shanxi Province,China (20191102008)+2 种基金Platform and Talent Project of Shanxi Province,China (201805D211036)Guiding Local Science and Technology Development Projects by the Central Government of China (YDZX20191400002796)Transformation of Scientific and Technological Achievements Special Guide Project of Shanxi Province,China (201804D131039)。
文摘Pre-melting is a phenomenon that below the melting point the liquid-like structure appears at the grainboundary while the grain interior remains a crystal structure. The phase-field crystal method was employed to investigate the early evolution of the liquid pools in pre-melting regions, mainly involving four structural transformations: solid-solid state → small droplet → large liquid pool → homogeneous liquid melting. The microscopic morphology and free energy variation with different average atomic densities demonstrate that the average atomic density is sensitive to the morphological characteristics of liquid pools. Both two-dimensional and three-dimensional simulation results show that the amplitude reduction of order parameters can promote the order-disorder transition of grain boundaries, causing pre-melting in the edge dislocation aggregation. The relationship between the average atomic density and the width of the liquid pools is verified from thermodynamics, which provides a prerequisite for the application of high-temperature strain in the later stage to some extent.
基金The authors are grateful for the financial supports from the National Natural Science Foundation of China(Nos.41807235,50674038).
文摘A new Mg−10%Al−1%Zn−1%Si alloy with non-dendritic microstructure was prepared by strain induced melt activation(SIMA)process.The effect of compression ratio on the evolution of semisolid microstructure of the experimental alloy was investigated.The results indicate that the average size ofα-Mg grains decreases and spheroidizing tendency becomes more obvious with the compression ratios increasing from 0 to 40%.In addition,the eutectic Mg2Si phase in the Mg−10%Al−1%Zn−1%Si alloy transforms completely from the initial fishbone shape to globular shape by SIMA process.With the increasing of compression ratio,the morphology and average size of Mg2Si phases do not change obviously.The morphology modification mechanism of Mg2Si phase in Mg−10%Al−1%Zn−1%Si alloy by SIMA process was also studied.
基金Supported by the National Science and Technology Support Program of China(No.2013BAE02B01)the Special Project on the Integration of Industry,Education and Research of Guangdong Province(No.2013B090500003)the Commissioner Workstation Project of Guangdong Province(No.2014A090906002)
文摘Nylon 10 T and Nylon 10T/1010 samples were synthesized by direct melt polymerization. The non-isothermal crystallization kinetics of Nylon 10 T and Nylon 10T/1010 was investigated by means of differential scanning calorimetry(DSC). Jeziorny equation and Mo equation were applied to describe the non-isothermal crystallization kinetics of the Nylon 10 T and the Nylon 10T/1010. The activation energies for non-isothermal crystallization were obtained by Vyazovkin's method and Friedman's method, respectively. These results showed that Jeziorny equation and Mo equation well described the non-isothermal crystallization kinetics of the Nylon 10 T and the Nylon 10T/1010. It was found that the values of the activation energy for non-isothermal crystallization of the Nylon 10T/1010 were lower than those of the Nylon 10 T at a given temperature or relative crystallinity degree,which revealed that crystallization ability of the Nylon 10T/1010 was higher. The crystal morphology was observed by means of a polarized optical microscope(POM) and X-ray diffraction(XRD). It was found that the addition of sebacic acid comonomer not only did not change the crystal form of the Nylon 10 T, but also significantly increased the number and decreased the size of spherulites. Comparing with the Nylon 10 T, the crystallization rate was increased with the addition of the sebacic acid comonomer.
文摘A repulsive vortex\|vortex interaction model was used to numerically study the melting transition of the two\|dimensional vortex system with Monte Carlo method. Then a δ\|function\|like peak in the specific heat was observed and the internal energy showed a sharp drop at the melting temperature, which indicated that there exists a first\|order melting transition at finite temperatures. The Lindemann criterion was also investigated and valid, but different from previous simulation results.
基金Supported by the National Natural Science Foundation of China under Grant No.41574076the NSAF of China under Grant No.U1230201/A06the Young Core Teacher Scheme of Henan Province under Grant No.2014GGJS-108
文摘Melting simulation methods are of crucial importance to determining melting temperature of materials efficiently.A high-efficiency melting simulation method saves much simulation time and computational resources.To compare the efficiency of our newly developed shock melting(SM)method with that of the well-established two-phase(TP)method,we calculate the high-pressure melting curve of Au using the two methods based on the optimally selected interatomic potentials.Although we only use 640 atoms to determine the melting temperature of Au in the SM method,the resulting melting curve accords very well with the results from the TP method using much more atoms.Thus,this shows that a much smaller system size in SM method can still achieve a fully converged melting curve compared with the TP method,implying the robustness and efficiency of the SM method.