The nonadiabatic dynamics of methyl nitrate(CH_(3)ONO_(2))is studied with the on-the-fy trajectory surface hopping dynamics at the ADC(2)level.The results confirmed the existence of the ultrafast nonadiabatic decay to...The nonadiabatic dynamics of methyl nitrate(CH_(3)ONO_(2))is studied with the on-the-fy trajectory surface hopping dynamics at the ADC(2)level.The results confirmed the existence of the ultrafast nonadiabatic decay to the electronic ground state.When the dynamics starts from S_(1) and S_(2),the photoproducts are CH_(3)O+NO_(2),consistent with previous results obtained from the experimental studies and theoretical dynamics simulations at more accurate XMS-CASPT2 level.The photolysis products are CH_(3)O+NO_(2) at the ADC(2)level when the dynamics starts from S3,while different photolysis products were obtained in previous experimental and theoretical works.These results demonstrate that the ADC(2)method may still be useful for treating the photolysis mechanism of CH_(3)ONO_(2) at the long-wavelength UV excitation,while great caution should be paid due to its inaccurate performance in the description of the photolysis dynamics at the short-wavelength UV excitation.This gives valuable information to access the accuracy when other alkyl nitrates are treated at the ADC(2)level.展开更多
A brief review on biconical tapered fiber sensors for biosensing applications is presented. A variety of configurations and formats of this sensor have been devised for label free biosensing based on measuring small r...A brief review on biconical tapered fiber sensors for biosensing applications is presented. A variety of configurations and formats of this sensor have been devised for label free biosensing based on measuring small refractive index changes. The biconical nonadiabatic tapered optical fiber offers a number of favorable properties for optical sensing, which have been exploited in several biosensing applications, including cell, protein, and DNA sensors. The types of these sensors present a low-cost fiber biosensor featuring a miniature sensing probe, label-free direct detection, and high sensitivity.展开更多
Blood flow model is recycled to study the influence of magnetic field and nanoparticles in tapered stenosed arteries. The metallic nanoparticles for the blood flow with water as base fluid are not explored so far. The...Blood flow model is recycled to study the influence of magnetic field and nanoparticles in tapered stenosed arteries. The metallic nanoparticles for the blood flow with water as base fluid are not explored so far. The representation for the blood flow is through an axially non-symmetrical but radially symmetric stenosis. Symmetry of the distribution of the wall shearing stress and resistive impedance and their growth with the deve- loping stenosis is another important feature of our analysis. Exact solutions have been evaluated for velocity, resistance impedance, wall shear stress and shearing stress at the stenosis throat. The graphical results of different types of tapered arteries （i.e. conver- ging tapering, diverging tapering, non-tapered artery） have been examined for different parameters of interest for pure water and Copper water （Cu-water）.展开更多
基金supported by the National Natural Science Foundation of China(No.21933011,No.21873112)。
文摘The nonadiabatic dynamics of methyl nitrate(CH_(3)ONO_(2))is studied with the on-the-fy trajectory surface hopping dynamics at the ADC(2)level.The results confirmed the existence of the ultrafast nonadiabatic decay to the electronic ground state.When the dynamics starts from S_(1) and S_(2),the photoproducts are CH_(3)O+NO_(2),consistent with previous results obtained from the experimental studies and theoretical dynamics simulations at more accurate XMS-CASPT2 level.The photolysis products are CH_(3)O+NO_(2) at the ADC(2)level when the dynamics starts from S3,while different photolysis products were obtained in previous experimental and theoretical works.These results demonstrate that the ADC(2)method may still be useful for treating the photolysis mechanism of CH_(3)ONO_(2) at the long-wavelength UV excitation,while great caution should be paid due to its inaccurate performance in the description of the photolysis dynamics at the short-wavelength UV excitation.This gives valuable information to access the accuracy when other alkyl nitrates are treated at the ADC(2)level.
文摘A brief review on biconical tapered fiber sensors for biosensing applications is presented. A variety of configurations and formats of this sensor have been devised for label free biosensing based on measuring small refractive index changes. The biconical nonadiabatic tapered optical fiber offers a number of favorable properties for optical sensing, which have been exploited in several biosensing applications, including cell, protein, and DNA sensors. The types of these sensors present a low-cost fiber biosensor featuring a miniature sensing probe, label-free direct detection, and high sensitivity.
文摘Blood flow model is recycled to study the influence of magnetic field and nanoparticles in tapered stenosed arteries. The metallic nanoparticles for the blood flow with water as base fluid are not explored so far. The representation for the blood flow is through an axially non-symmetrical but radially symmetric stenosis. Symmetry of the distribution of the wall shearing stress and resistive impedance and their growth with the deve- loping stenosis is another important feature of our analysis. Exact solutions have been evaluated for velocity, resistance impedance, wall shear stress and shearing stress at the stenosis throat. The graphical results of different types of tapered arteries （i.e. conver- ging tapering, diverging tapering, non-tapered artery） have been examined for different parameters of interest for pure water and Copper water （Cu-water）.
