The whole analysis process of pneumatic stressed membrane structure contains nine states and seven analysis processes.The zero-stress state is the corner-stone of analysis and design of pneumatic stressed structure,an...The whole analysis process of pneumatic stressed membrane structure contains nine states and seven analysis processes.The zero-stress state is the corner-stone of analysis and design of pneumatic stressed structure,and has significant impact on the pre-stressed state and load state.According to the logical model of the whole numerical analysis process of pneumatic stressed structure,a numerical analysis method to solve the zero-stress state from the elasticized equilibrium state was firstly proposed,called linear compatibility matrix M-P inverse method.Firstly,the pneumatic membrane stressed structure was transferred into grid structure by using membrane link to simulate membrane surface.Secondly,on the basis of equilibrium matrix theory of pin joint structure and small deformation assumption,compatibility equation of system was established.Thirdly,the unstressed length and elongation of links were calculated from the tension and material parameters of elasticized equilibrium state.Finally,using compatibility matrix M-P inverse,the nodal displacement was calculated by solving compatibility equation,the configuration of zero-stress state could be obtained through reverse superposition,and the stress was released.According to the algorithm,the program was coded with MATLAB.The correctness and efficiency of this method were verified by several numerical examples,and it could be found that one elasticized equilibrium state corresponded to one configuration of the zero-stress state.The work has theoretical significance and practical guidance value for pneumatic membrane structural design.展开更多
Theoretical investigations have been carried out on the mechanism and kinetics for the reaction of CF 3 CHO + Cl using duallevel direct dynamics method. The potential energy surface information was obtained at the MCQ...Theoretical investigations have been carried out on the mechanism and kinetics for the reaction of CF 3 CHO + Cl using duallevel direct dynamics method. The potential energy surface information was obtained at the MCQCISD/3//MP2/cc-pVDZ level and the kinetic calculations were done using variational transition state theory with interpolated single-point energy (VTST-ISPE) approach. The calculated results show that the reaction proceeds primarily via the H-abstraction channel, while the Cl-addition channel is unfavorable due to the higher barriers. The improved canonical variational transition-state theory (ICVT) with the small-curvature tunneling correction (SCT) was used to calculate the rate constants. The theoretical rate constants at room temperature are in general agreement with the experimental values. A three-parameter rate constant expression was fitted over a wide temperature range of 200-2000 K.展开更多
基金supported by the National Natural Science Foundation of China (Grant Nos. 50878128, 50808122)
文摘The whole analysis process of pneumatic stressed membrane structure contains nine states and seven analysis processes.The zero-stress state is the corner-stone of analysis and design of pneumatic stressed structure,and has significant impact on the pre-stressed state and load state.According to the logical model of the whole numerical analysis process of pneumatic stressed structure,a numerical analysis method to solve the zero-stress state from the elasticized equilibrium state was firstly proposed,called linear compatibility matrix M-P inverse method.Firstly,the pneumatic membrane stressed structure was transferred into grid structure by using membrane link to simulate membrane surface.Secondly,on the basis of equilibrium matrix theory of pin joint structure and small deformation assumption,compatibility equation of system was established.Thirdly,the unstressed length and elongation of links were calculated from the tension and material parameters of elasticized equilibrium state.Finally,using compatibility matrix M-P inverse,the nodal displacement was calculated by solving compatibility equation,the configuration of zero-stress state could be obtained through reverse superposition,and the stress was released.According to the algorithm,the program was coded with MATLAB.The correctness and efficiency of this method were verified by several numerical examples,and it could be found that one elasticized equilibrium state corresponded to one configuration of the zero-stress state.The work has theoretical significance and practical guidance value for pneumatic membrane structural design.
基金supported by the National Natural Science Foundation of China (20973077, 20303007)the Program for New Century Excellent Talents in University (NCET)
文摘Theoretical investigations have been carried out on the mechanism and kinetics for the reaction of CF 3 CHO + Cl using duallevel direct dynamics method. The potential energy surface information was obtained at the MCQCISD/3//MP2/cc-pVDZ level and the kinetic calculations were done using variational transition state theory with interpolated single-point energy (VTST-ISPE) approach. The calculated results show that the reaction proceeds primarily via the H-abstraction channel, while the Cl-addition channel is unfavorable due to the higher barriers. The improved canonical variational transition-state theory (ICVT) with the small-curvature tunneling correction (SCT) was used to calculate the rate constants. The theoretical rate constants at room temperature are in general agreement with the experimental values. A three-parameter rate constant expression was fitted over a wide temperature range of 200-2000 K.
