Ti-6A1-4V has a wide range of applications, especially in the aerospace field;however, it is a difficultto- cut material. In order to achieve sustainable machining of Ti?6A1-4V, multiple objectives considering not onl...Ti-6A1-4V has a wide range of applications, especially in the aerospace field;however, it is a difficultto- cut material. In order to achieve sustainable machining of Ti?6A1-4V, multiple objectives considering not only economic and technical requirements but also the environmental requirement need to be optimized simultaneously. In this work, the optimization design of process parameters such as type of inserts, feed rate, and depth of cut for Ti-6A1-4V turning under dry condition was investigated experimentally. The major performance indexes chosen to evaluate this sustainable process were radial thrust, cutting power, and coefficient of friction at the toolchip interface. Considering the nonlinearity between the various objectives, grey relational analysis (GRA) was first performed to transform these indexes into the corresponding grey relational coefficients, and then kernel principal component analysis (KPCA) was applied to extract the kernel principal components and determine the corresponding weights which showed their relative importance. Eventually, kernel grey relational grade (KGRG) was proposed as the optimization criterion to identify the optimal combination of process parameters. The results of the range analysis show that the depth of cut has the most significant effect, followed by the feed rate and type of inserts. Confirmation tests clearly show that the modified method combining GRA with KPCA outperforms the traditional GRA method with equal weights and the hybrid method based on GRA and PCA.展开更多
In this paper, we evaluate semiempirical methods (AM1, PM3, and ZINDO), HF and DFT (B3LYP) in different basis sets to determine which method best describes the sign and magnitude of the geometrical parameters of artem...In this paper, we evaluate semiempirical methods (AM1, PM3, and ZINDO), HF and DFT (B3LYP) in different basis sets to determine which method best describes the sign and magnitude of the geometrical parameters of artemisinin in the region of the endoperoxide ring compared to crystallographic data. We also classify these methods using statistical analysis. The results of PCA were based on three main components, explaining 98.0539% of the total variance, for the geometrical parameters C3O13, O1O2C3, O13C12C12a, and O2C3O13C12. The DFT method (B3LYP) corresponded well with the experimental data in the hierarchical cluster analysis (HCA). The experimental and theoretical angles were analyzed by simple linear regression, and statistical parameters (correlation coefficients, significance, and predictability) were evaluated to determine the accuracy of the calculations. The statistical analysis exhibited a good correlation and high predictive power for the DFT (B3LYP) method in the 6-31G** basis set.展开更多
文摘Ti-6A1-4V has a wide range of applications, especially in the aerospace field;however, it is a difficultto- cut material. In order to achieve sustainable machining of Ti?6A1-4V, multiple objectives considering not only economic and technical requirements but also the environmental requirement need to be optimized simultaneously. In this work, the optimization design of process parameters such as type of inserts, feed rate, and depth of cut for Ti-6A1-4V turning under dry condition was investigated experimentally. The major performance indexes chosen to evaluate this sustainable process were radial thrust, cutting power, and coefficient of friction at the toolchip interface. Considering the nonlinearity between the various objectives, grey relational analysis (GRA) was first performed to transform these indexes into the corresponding grey relational coefficients, and then kernel principal component analysis (KPCA) was applied to extract the kernel principal components and determine the corresponding weights which showed their relative importance. Eventually, kernel grey relational grade (KGRG) was proposed as the optimization criterion to identify the optimal combination of process parameters. The results of the range analysis show that the depth of cut has the most significant effect, followed by the feed rate and type of inserts. Confirmation tests clearly show that the modified method combining GRA with KPCA outperforms the traditional GRA method with equal weights and the hybrid method based on GRA and PCA.
文摘In this paper, we evaluate semiempirical methods (AM1, PM3, and ZINDO), HF and DFT (B3LYP) in different basis sets to determine which method best describes the sign and magnitude of the geometrical parameters of artemisinin in the region of the endoperoxide ring compared to crystallographic data. We also classify these methods using statistical analysis. The results of PCA were based on three main components, explaining 98.0539% of the total variance, for the geometrical parameters C3O13, O1O2C3, O13C12C12a, and O2C3O13C12. The DFT method (B3LYP) corresponded well with the experimental data in the hierarchical cluster analysis (HCA). The experimental and theoretical angles were analyzed by simple linear regression, and statistical parameters (correlation coefficients, significance, and predictability) were evaluated to determine the accuracy of the calculations. The statistical analysis exhibited a good correlation and high predictive power for the DFT (B3LYP) method in the 6-31G** basis set.