The dynamics differential equations are constructed, and the initial conditions are also given. Simulation shows the following conclusions: The water pressure in cylinder has great instantaneous pulsation and phase s...The dynamics differential equations are constructed, and the initial conditions are also given. Simulation shows the following conclusions: The water pressure in cylinder has great instantaneous pulsation and phase step when outlet valve or inlet valve opens, but is more gently in other time; The volume efficiency is influenced by the output pressure slightly, and decreases as the working rotational speed increases; When the inherent frequency of the valves is integer multiple of the working frequency, the volume efficiency of system will decrease evidently.展开更多
The quasi one⁃dimension compressible flowfield coupled to the three⁃dimension propellant grain regression solved by the level⁃set method was used to simulate the transient internal ballistics of solid rocket motor.One...The quasi one⁃dimension compressible flowfield coupled to the three⁃dimension propellant grain regression solved by the level⁃set method was used to simulate the transient internal ballistics of solid rocket motor.One⁃dimension flowfield instead of three⁃dimension can save computational cost on the premise of calculation accuracy because the radial and azimuthal variations parameters have little contribution to the internal flowfield.The grain regression in real⁃time could provide accurate geometrical information for simulation.A combination of flowfluid solver and grain regression can reappear in a relatively real internal ballistic flowfield,so it is good for further studying the instability of solid rocket motor.For level⁃set equations,the total variation⁃diminishing second⁃order Runge⁃Kutta method for temporal derivatives and a fifth⁃order weighted⁃essentially⁃non⁃oscillatory scheme for spatial derivatives were used.The total variation⁃diminishing MacCormack method was used to discrete the Euler equations in flowfield solver.Two modules of this code were tested in this study:one is the burning rate module and the other is the nozzle erosion module.Results show that the burning rate influenced the solid rocket motor efficiency,and the velocity profile in the chamber was affected by the nozzle shape,and the nozzle erosion could influence the head⁃end pressure spike.展开更多
We present the specific ab-initio calculations that detail the variations of perovskite BaZrO3 caused by in-plane strain. Specifically, the internal relaxation, which was not captured in the widely used biaxial strain...We present the specific ab-initio calculations that detail the variations of perovskite BaZrO3 caused by in-plane strain. Specifically, the internal relaxation, which was not captured in the widely used biaxial strain model, was included in a complementary manner to lattice relaxation. Density functional theory as well as a hybrid functional method based on a plane wave basis set was employed to calculate the lattice structure, elastic constants, electronic properties and optical properties of perovskite BaZrO3. The lattice parameter c exhibited a clear linear dependence on the imposed in-plane strain, but the Poisson's ratio caused by internal relaxation was smaller than the elastic deformation, indicating an "inelastic" or "plastic" relaxation manner caused by the introduction of internal relaxation. As a result, the related electronic and optical properties of perovskite BaZrO3 were also strongly affected by the in-plane strain, which revealed an effective way to adjust the properties of perovskite BaZrO3 via internal relaxation.展开更多
The main structural parameters of the IR100-80-100A type chemical centrifugal pump have been optimized by means of an orthogonal test approach.The centrifugal pump has been modeled using the CFturbo software,and 16 se...The main structural parameters of the IR100-80-100A type chemical centrifugal pump have been optimized by means of an orthogonal test approach.The centrifugal pump has been modeled using the CFturbo software,and 16 sets of orthogonal-test schemes have been defined on the basis of 4 parameters,namely,the blade number,blade outlet angle,impeller outlet diameter,and impeller outlet width.Such analysis has been used to determine the influence of each index parameter on the pump working efficiency and identify a set of optimal combinations of such parameters.The internalflowfield in the centrifugal pump has been simulated by using the PumLinx software.These numerical results have shown that,compared with the prototype pump,the outlet pressure and shaft power of the optimized pump can be significantly reduced,and the pump working efficiency can be improved by 5.59%.In the present study,some arguments are also provided to demonstrate that,with respect to other optimization methods,the orthogonal test approach is more convenient,and requires less test times.展开更多
The photochromic ring-opening reaction of spiropyran(SP) has been investigated by a realistic semiclassical dynamics simulation,accompanied by SA3-CASSCF(12 10)/MS-CASPT2 potential energy curves(PECs) of S0–S2....The photochromic ring-opening reaction of spiropyran(SP) has been investigated by a realistic semiclassical dynamics simulation,accompanied by SA3-CASSCF(12 10)/MS-CASPT2 potential energy curves(PECs) of S0–S2.The main simulation results show the dominate pathway corresponds to the ringopening process of trans-SP to form the most stable merocyanine(MC) product.These findings provide more important complementarity for interpreting experimental observations.展开更多
基金This project is supported by National Natural Science Foundation of China(No.10342003).
文摘The dynamics differential equations are constructed, and the initial conditions are also given. Simulation shows the following conclusions: The water pressure in cylinder has great instantaneous pulsation and phase step when outlet valve or inlet valve opens, but is more gently in other time; The volume efficiency is influenced by the output pressure slightly, and decreases as the working rotational speed increases; When the inherent frequency of the valves is integer multiple of the working frequency, the volume efficiency of system will decrease evidently.
基金Sponsored by the National Natural Science Foundation of China(Grant Nos.11872187 and 51779097)the National Natural Science Foundation of Hubei Province(Grant No.2018CFB461).
文摘The quasi one⁃dimension compressible flowfield coupled to the three⁃dimension propellant grain regression solved by the level⁃set method was used to simulate the transient internal ballistics of solid rocket motor.One⁃dimension flowfield instead of three⁃dimension can save computational cost on the premise of calculation accuracy because the radial and azimuthal variations parameters have little contribution to the internal flowfield.The grain regression in real⁃time could provide accurate geometrical information for simulation.A combination of flowfluid solver and grain regression can reappear in a relatively real internal ballistic flowfield,so it is good for further studying the instability of solid rocket motor.For level⁃set equations,the total variation⁃diminishing second⁃order Runge⁃Kutta method for temporal derivatives and a fifth⁃order weighted⁃essentially⁃non⁃oscillatory scheme for spatial derivatives were used.The total variation⁃diminishing MacCormack method was used to discrete the Euler equations in flowfield solver.Two modules of this code were tested in this study:one is the burning rate module and the other is the nozzle erosion module.Results show that the burning rate influenced the solid rocket motor efficiency,and the velocity profile in the chamber was affected by the nozzle shape,and the nozzle erosion could influence the head⁃end pressure spike.
基金Funded by the National Natural Science Foundation of China(No.51502179)the Colleges and Universities in Hebei Province Science and Technology Research Project(No.YQ2014033)the Hebei Key Discipline Construction Project(B2012210004 and E2013210038)
文摘We present the specific ab-initio calculations that detail the variations of perovskite BaZrO3 caused by in-plane strain. Specifically, the internal relaxation, which was not captured in the widely used biaxial strain model, was included in a complementary manner to lattice relaxation. Density functional theory as well as a hybrid functional method based on a plane wave basis set was employed to calculate the lattice structure, elastic constants, electronic properties and optical properties of perovskite BaZrO3. The lattice parameter c exhibited a clear linear dependence on the imposed in-plane strain, but the Poisson's ratio caused by internal relaxation was smaller than the elastic deformation, indicating an "inelastic" or "plastic" relaxation manner caused by the introduction of internal relaxation. As a result, the related electronic and optical properties of perovskite BaZrO3 were also strongly affected by the in-plane strain, which revealed an effective way to adjust the properties of perovskite BaZrO3 via internal relaxation.
基金supported by the Anhui Province University Discipline(Professional)Top Talent Academic Funding Project(No.gxbjZD2021076)This project is supported by the Key Project of Natural Science Research in Colleges and Universities of Anhui Province(No.KJ2021A1026)This project is supported by the Key Project of Natural Science Foundation of Chaohu University(No.XLZ-201902).
文摘The main structural parameters of the IR100-80-100A type chemical centrifugal pump have been optimized by means of an orthogonal test approach.The centrifugal pump has been modeled using the CFturbo software,and 16 sets of orthogonal-test schemes have been defined on the basis of 4 parameters,namely,the blade number,blade outlet angle,impeller outlet diameter,and impeller outlet width.Such analysis has been used to determine the influence of each index parameter on the pump working efficiency and identify a set of optimal combinations of such parameters.The internalflowfield in the centrifugal pump has been simulated by using the PumLinx software.These numerical results have shown that,compared with the prototype pump,the outlet pressure and shaft power of the optimized pump can be significantly reduced,and the pump working efficiency can be improved by 5.59%.In the present study,some arguments are also provided to demonstrate that,with respect to other optimization methods,the orthogonal test approach is more convenient,and requires less test times.
基金supported by the National Natural Science Foundation of China (Nos. 21003100 and 21073242)Natural Science Basic Research Plan in Shaanxi Province of China (No. 2011JQ2013)Special Fund of Education Department of Shaanxi Province (No. 12JK0619)
文摘The photochromic ring-opening reaction of spiropyran(SP) has been investigated by a realistic semiclassical dynamics simulation,accompanied by SA3-CASSCF(12 10)/MS-CASPT2 potential energy curves(PECs) of S0–S2.The main simulation results show the dominate pathway corresponds to the ringopening process of trans-SP to form the most stable merocyanine(MC) product.These findings provide more important complementarity for interpreting experimental observations.