Non-equilibrium molecular dynamics（MD） simulations were performed according to the electronic anti-fouling technology, and some structural parameters and dynamic parameters of CaCl2 aqueous solution were taken as in...Non-equilibrium molecular dynamics（MD） simulations were performed according to the electronic anti-fouling technology, and some structural parameters and dynamic parameters of CaCl2 aqueous solution were taken as indicators to compare the different effect on the anti-fouling performance by applying different electric fields. The results show that electric fields can effectively decrease the viscosity of CaCl2 aqueous solution and enhance the ionic activity by enlarging the self-diffusion coefficient. In addition, with the same electric field strength, the electrostatic field is more effective at decreasing the viscosity of CaCI2 aqueous solution and increasing the self-diffusion coefficient of water molecules, while the alternating electric field is more effective at increasing the self-diffusion coefficient of Ca2＋. Furthermore, an alternating electric field with different frequencies was applied; the results show that an 800 kHz frequency is most effective to decrease the viscosity, and a 700 kHz frequency is most effective to en- hance the self-diffusion coefficient of water molecule. Otherwise, 400 kHz is most effective to enhance the self-diffusion coefficient of Ca2＋. Additionally, by studying the change of structure parameters, it was concluded that an external electric field can enhance the hydration between Ca2＋ and coordinated water molecules, and the alternating electric field is more effective in this respect.展开更多
Based on the hot-continuous rolling technology, the finishing rolling impact work α k of the non-quenched and tempered Si-Mn steel is theoretically calculated with the covalent electron number nA of the strongest bon...Based on the hot-continuous rolling technology, the finishing rolling impact work α k of the non-quenched and tempered Si-Mn steel is theoretically calculated with the covalent electron number nA of the strongest bond in alloying phases, and the smallest interface electron density difference Δρ of alloying phase interface and the number of atom states σ which keep the interface electron density continuous. Calculations show that the solution strengthening, the precipitation strengthening, and the interface strengthening will result in the decrease of the finishing rolling impact work α k, and the effects of the number of atom states σ which keep the interface electron density continuous on the finishing rolling impact work α k are different. Taking the impact work and the number of atom states σ 0 keeping the electron density continuous of the phase interface α-Fe/α-Fe-C between α-Fe and α-Fe-C as reference values, the impact work of the interface will increase when σ of some interface is larger than σ 0; otherwise, the impact will decrease. Therefore, the finishing rolling impact work α k can be calculated with the impact value of the refined α-Fe matrix and the influence amounts caused by the solution strengthening, the precipitation strengthening, the interface strengthening, and the number of atom states σ which keep the interface electron density continuous. The calculated results agree well with the measured ones. In this paper, the effect of S on the impact work is also discussed.展开更多
超高分子量聚乙烯(UHMWPE)的初生凝胶电丝在超倍拉伸(简称为超拉伸)过程中其结构和性能要发生一系列变化。描述和表征这一过程可采用多种途径和多项指标。本文在用传统表征方法相比较的基础上提出了可用小角 X 射线散射(SAXS)强度来衡...超高分子量聚乙烯(UHMWPE)的初生凝胶电丝在超倍拉伸(简称为超拉伸)过程中其结构和性能要发生一系列变化。描述和表征这一过程可采用多种途径和多项指标。本文在用传统表征方法相比较的基础上提出了可用小角 X 射线散射(SAXS)强度来衡量纤维中的缺陷度,而缺陷度能很好地表征纤维在整个拉伸过程中力学性能的变化规律。本文的结论同时亦适用于其它高性能纤维品种,如 PVA 凝胶纤维等。展开更多
基金Supported by the National Natural Science Foundation of China（No.51408525）.
文摘Non-equilibrium molecular dynamics（MD） simulations were performed according to the electronic anti-fouling technology, and some structural parameters and dynamic parameters of CaCl2 aqueous solution were taken as indicators to compare the different effect on the anti-fouling performance by applying different electric fields. The results show that electric fields can effectively decrease the viscosity of CaCl2 aqueous solution and enhance the ionic activity by enlarging the self-diffusion coefficient. In addition, with the same electric field strength, the electrostatic field is more effective at decreasing the viscosity of CaCI2 aqueous solution and increasing the self-diffusion coefficient of water molecules, while the alternating electric field is more effective at increasing the self-diffusion coefficient of Ca2＋. Furthermore, an alternating electric field with different frequencies was applied; the results show that an 800 kHz frequency is most effective to decrease the viscosity, and a 700 kHz frequency is most effective to en- hance the self-diffusion coefficient of water molecule. Otherwise, 400 kHz is most effective to enhance the self-diffusion coefficient of Ca2＋. Additionally, by studying the change of structure parameters, it was concluded that an external electric field can enhance the hydration between Ca2＋ and coordinated water molecules, and the alternating electric field is more effective in this respect.
基金This work was supported by the National Natural Science Foundation of China (Grant No. 50471022).
文摘Based on the hot-continuous rolling technology, the finishing rolling impact work α k of the non-quenched and tempered Si-Mn steel is theoretically calculated with the covalent electron number nA of the strongest bond in alloying phases, and the smallest interface electron density difference Δρ of alloying phase interface and the number of atom states σ which keep the interface electron density continuous. Calculations show that the solution strengthening, the precipitation strengthening, and the interface strengthening will result in the decrease of the finishing rolling impact work α k, and the effects of the number of atom states σ which keep the interface electron density continuous on the finishing rolling impact work α k are different. Taking the impact work and the number of atom states σ 0 keeping the electron density continuous of the phase interface α-Fe/α-Fe-C between α-Fe and α-Fe-C as reference values, the impact work of the interface will increase when σ of some interface is larger than σ 0; otherwise, the impact will decrease. Therefore, the finishing rolling impact work α k can be calculated with the impact value of the refined α-Fe matrix and the influence amounts caused by the solution strengthening, the precipitation strengthening, the interface strengthening, and the number of atom states σ which keep the interface electron density continuous. The calculated results agree well with the measured ones. In this paper, the effect of S on the impact work is also discussed.
文摘超高分子量聚乙烯(UHMWPE)的初生凝胶电丝在超倍拉伸(简称为超拉伸)过程中其结构和性能要发生一系列变化。描述和表征这一过程可采用多种途径和多项指标。本文在用传统表征方法相比较的基础上提出了可用小角 X 射线散射(SAXS)强度来衡量纤维中的缺陷度,而缺陷度能很好地表征纤维在整个拉伸过程中力学性能的变化规律。本文的结论同时亦适用于其它高性能纤维品种,如 PVA 凝胶纤维等。
