Equilibrium freezing curve of Mg-2%Ga （mass fraction） alloy was calculated by CALPHALD method. Microstructures of the melted Mg-2%Ga alloys solidified by iron and copper moulds, respectively, were investigated using...Equilibrium freezing curve of Mg-2%Ga （mass fraction） alloy was calculated by CALPHALD method. Microstructures of the melted Mg-2%Ga alloys solidified by iron and copper moulds, respectively, were investigated using OM and SEM. Electrochemical properties of the Mg-2%Ga alloys with different freezing rates were measured by galvanostatic, potentiodynamic and electrochemical impedance spectroscopy tests. The results show that solidification by copper mould leads to intergranular MgsGa2 compounds with small size and large number density. Less adsorbent of Mg^＋ and oxide corrosion products occur on the surface of the Mg-2%Ga alloys solidified by copper mould, producing lower corrosion current density of 1.8×10^-5 mA/cm^2. In the galvanostatic tests with 100 mA/cm^2 current density, more negative stable potential of-1.604 V exists in the Mg-2%Ga alloys solidified by iron mould due to the lower freezing rate, which leads to smaller inductive and capacity time constants as well as shorter activity time and better electrochemical activity.展开更多
A parallelized upwind flux splitting scheme for supersonic reacting flows on hybrid meshes is presented. The complexity of super/hyper-sonic combustion flows makes it necessary to establish solvers with higher resolut...A parallelized upwind flux splitting scheme for supersonic reacting flows on hybrid meshes is presented. The complexity of super/hyper-sonic combustion flows makes it necessary to establish solvers with higher resolution and efficiency for multi-component Euler/N-S equations. Hence, a spatial second-order van Leer type flux vector splitting scheme is established by introducing auxiliary points in interpolation, and a domain decomposition method used on unstructured hybrid meshes for obtaining high calculating efficiency. The numerical scheme with five-stage Runge-Kutta time step method is implemented to the simulation of combustion flows, including the supersonic hydrogen/air combustion and the normal injection of hydrogen into reacting flows. Satisfying results are obtained compared with limited references.展开更多
The traditional manner to design public transportation system is to sequentially design the transit network and public bicycle network. A new public transportation system design problem that simultaneously considers b...The traditional manner to design public transportation system is to sequentially design the transit network and public bicycle network. A new public transportation system design problem that simultaneously considers both bus network design and public bicycle network design is proposed. The chemical reaction optimization(CRO) is designed to solve the problem. A shortcoming of CRO is that, when the two-molecule collisions take place, the molecules are randomly picked from the container.Hence, we improve CRO by employing different mating strategies. The computational results confirm the benefits of the mating strategies. Numerical experiments are conducted on the Sioux-Falls network. A comparison with the traditional sequential modeling framework indicates that the proposed approach has a better performance and is more robust. The practical applicability of the approach is proved by employing a real size network.展开更多
Equilibrium photoproduct of 7r-cyclopentadienyliron dicarbonyl dimer [CpFe（CO）2]2 in non- polar solvent carbon tetrachloride （CC14） is investigated using time-resolved 2D IR spec- troscopy. One of the several poss...Equilibrium photoproduct of 7r-cyclopentadienyliron dicarbonyl dimer [CpFe（CO）2]2 in non- polar solvent carbon tetrachloride （CC14） is investigated using time-resolved 2D IR spec- troscopy. One of the several possible visible-light-driven photoreaction pathways is confirmed and the product is found to contain a di-carbonyl group that exhibits quantum beating be- tween two equivalent transitions in time-resolved 2D IR spectra, which turns out to be the anti-symmetric and symmetric stretching of the terminal carbonyl stretching modes of CpFe（CO）2C1. This is the main product and its reaction pathway involves radical formation, followed by chloride addition. Quantum-chemistry computations support these experimental results. Our results indicate that 2D IR method can be used to identify in situ structures and dynamics of chemical species involved in condensed-phase chemical reactions.展开更多
Under the conditions of constant temperature and pressure,different influences of samples with different chemical components on the mechanism of nonlinear chemical reaction will cause different changes of the potentia...Under the conditions of constant temperature and pressure,different influences of samples with different chemical components on the mechanism of nonlinear chemical reaction will cause different changes of the potential-time relationship curve of the nonlinear chemical reaction system.Using it as the character,and using the B-Z nonlinear chemical system to use acetone and substrates in samples as main dissipative substances qua an example,the principle of nonlinear chemical fingerprint has been researched and discussed in detail.At the same time,the general method for calculating the system similarity about nonlinear chemical fingerprint was also put forward,and similarities of nonlinear chemistry fingerprints of different batches of Guhan Yangshengjing and 18 sorts of other samples were calculated by Euclidean distance,correlation coefficient,included angle cosine and system similarity,at the same time,the various similarities were analyzed.The results showed that,both of correlation coefficient and included angle cosine are unable to be used as the criterion for quantitatively evaluating the similarity of nonlinear chemistry fingerprint;as non-parametric similarity,Euclidean distance can accurately reflect the feature differences in the fingerprints,but as parametric similarity,sometimes,Euclidean distance can not accurately reflect the relative extent of characteristic difference in the nonlinear chemical fingerprints;system similarity can most truthfully reflect the characteristic difference in the nonlinear chemical fingerprints,and is the best evaluating method among the four ones.Therefore,system similarity can be used to quantitatively calculate the similar extent between the nonlinear chemical fingerprints.An economical,simple and convenient,easy pushing and effective method for identifying and evaluating complicated samples has successfully been put forward.展开更多
基金Project (JPPT-115-4-1682) supported by the National Defense Science and Technology Industry Committee of China
文摘Equilibrium freezing curve of Mg-2%Ga （mass fraction） alloy was calculated by CALPHALD method. Microstructures of the melted Mg-2%Ga alloys solidified by iron and copper moulds, respectively, were investigated using OM and SEM. Electrochemical properties of the Mg-2%Ga alloys with different freezing rates were measured by galvanostatic, potentiodynamic and electrochemical impedance spectroscopy tests. The results show that solidification by copper mould leads to intergranular MgsGa2 compounds with small size and large number density. Less adsorbent of Mg^＋ and oxide corrosion products occur on the surface of the Mg-2%Ga alloys solidified by copper mould, producing lower corrosion current density of 1.8×10^-5 mA/cm^2. In the galvanostatic tests with 100 mA/cm^2 current density, more negative stable potential of-1.604 V exists in the Mg-2%Ga alloys solidified by iron mould due to the lower freezing rate, which leads to smaller inductive and capacity time constants as well as shorter activity time and better electrochemical activity.
文摘A parallelized upwind flux splitting scheme for supersonic reacting flows on hybrid meshes is presented. The complexity of super/hyper-sonic combustion flows makes it necessary to establish solvers with higher resolution and efficiency for multi-component Euler/N-S equations. Hence, a spatial second-order van Leer type flux vector splitting scheme is established by introducing auxiliary points in interpolation, and a domain decomposition method used on unstructured hybrid meshes for obtaining high calculating efficiency. The numerical scheme with five-stage Runge-Kutta time step method is implemented to the simulation of combustion flows, including the supersonic hydrogen/air combustion and the normal injection of hydrogen into reacting flows. Satisfying results are obtained compared with limited references.
基金Projects(71301115,71271150,71101102)supported by the National Natural Science Foundation of ChinaProject(20130032120009)supported by Specialized Research Fund for the Doctoral Program of Higher Education of China
文摘The traditional manner to design public transportation system is to sequentially design the transit network and public bicycle network. A new public transportation system design problem that simultaneously considers both bus network design and public bicycle network design is proposed. The chemical reaction optimization(CRO) is designed to solve the problem. A shortcoming of CRO is that, when the two-molecule collisions take place, the molecules are randomly picked from the container.Hence, we improve CRO by employing different mating strategies. The computational results confirm the benefits of the mating strategies. Numerical experiments are conducted on the Sioux-Falls network. A comparison with the traditional sequential modeling framework indicates that the proposed approach has a better performance and is more robust. The practical applicability of the approach is proved by employing a real size network.
文摘Equilibrium photoproduct of 7r-cyclopentadienyliron dicarbonyl dimer [CpFe（CO）2]2 in non- polar solvent carbon tetrachloride （CC14） is investigated using time-resolved 2D IR spec- troscopy. One of the several possible visible-light-driven photoreaction pathways is confirmed and the product is found to contain a di-carbonyl group that exhibits quantum beating be- tween two equivalent transitions in time-resolved 2D IR spectra, which turns out to be the anti-symmetric and symmetric stretching of the terminal carbonyl stretching modes of CpFe（CO）2C1. This is the main product and its reaction pathway involves radical formation, followed by chloride addition. Quantum-chemistry computations support these experimental results. Our results indicate that 2D IR method can be used to identify in situ structures and dynamics of chemical species involved in condensed-phase chemical reactions.
基金supported by the National Key Technologies R & D Program (2009GJD20033)the International Scientific and Technological Cooperation Project from Chinese Ministry of Science and Technology (2007DFA40680)
文摘Under the conditions of constant temperature and pressure,different influences of samples with different chemical components on the mechanism of nonlinear chemical reaction will cause different changes of the potential-time relationship curve of the nonlinear chemical reaction system.Using it as the character,and using the B-Z nonlinear chemical system to use acetone and substrates in samples as main dissipative substances qua an example,the principle of nonlinear chemical fingerprint has been researched and discussed in detail.At the same time,the general method for calculating the system similarity about nonlinear chemical fingerprint was also put forward,and similarities of nonlinear chemistry fingerprints of different batches of Guhan Yangshengjing and 18 sorts of other samples were calculated by Euclidean distance,correlation coefficient,included angle cosine and system similarity,at the same time,the various similarities were analyzed.The results showed that,both of correlation coefficient and included angle cosine are unable to be used as the criterion for quantitatively evaluating the similarity of nonlinear chemistry fingerprint;as non-parametric similarity,Euclidean distance can accurately reflect the feature differences in the fingerprints,but as parametric similarity,sometimes,Euclidean distance can not accurately reflect the relative extent of characteristic difference in the nonlinear chemical fingerprints;system similarity can most truthfully reflect the characteristic difference in the nonlinear chemical fingerprints,and is the best evaluating method among the four ones.Therefore,system similarity can be used to quantitatively calculate the similar extent between the nonlinear chemical fingerprints.An economical,simple and convenient,easy pushing and effective method for identifying and evaluating complicated samples has successfully been put forward.
