Six-dimensional quantum dynamics calculations for the state-to-state scattering of H_(2)/D_(2) on the rigid Cu(100)surface have been carried out using a time-dependent wave packet approach,based on an accurate neural ...Six-dimensional quantum dynamics calculations for the state-to-state scattering of H_(2)/D_(2) on the rigid Cu(100)surface have been carried out using a time-dependent wave packet approach,based on an accurate neural network potential energy surface fit for thousands of density functional theory data computed with the opt PBE-vd W density functional.The present results are compared with previous theoretical and experimental ones regarding to the rovibrationally(in)elastic scattering of H_(2) and D_(2) from Cu(100).In particular,we test the validity of the site-averaging approximation in this system by which the six-dimensional(in)elastic scattering probabilities are compared with the weighted average of four-dimensional results over fifteen fixed sites.Specifically,the site-averaging model reproduces vibrationally elastic scattering probabilities quite well,though less well for vibrationally inelastic results at high energies.These results support the use of the site-averaging model to reduce computational costs in future investigations on the state-to-state scattering dynamics of heavy diatomic or polyatomic molecules from metal surfaces,where full-dimensional calculations are too expensive.展开更多
In this paper, parameter plane synthesis of a three-phase neutral-point clamped bidirectional rectifier has been performed. The converter involves one outer-loop PI voltage controller and two inner-loop PI current con...In this paper, parameter plane synthesis of a three-phase neutral-point clamped bidirectional rectifier has been performed. The converter involves one outer-loop PI voltage controller and two inner-loop PI current controllers for the closed-loop control. D-partition technique has been employed for the precise design of the voltage controller. The performance of the converter has been evaluated using MATLAB/Simulink software. An experimental prototype of converter has been developed and the experimental investigation of converter in closed-loop has been carried out. DSP DS 1104 of dSPACE has been used for real-time implementation of the designed controller. The performance of the converter has been found satisfactory using the designed controller parameters.展开更多
基金supported by the National Natural Science Foundation of China(No.22073089 and No.22033007)。
文摘Six-dimensional quantum dynamics calculations for the state-to-state scattering of H_(2)/D_(2) on the rigid Cu(100)surface have been carried out using a time-dependent wave packet approach,based on an accurate neural network potential energy surface fit for thousands of density functional theory data computed with the opt PBE-vd W density functional.The present results are compared with previous theoretical and experimental ones regarding to the rovibrationally(in)elastic scattering of H_(2) and D_(2) from Cu(100).In particular,we test the validity of the site-averaging approximation in this system by which the six-dimensional(in)elastic scattering probabilities are compared with the weighted average of four-dimensional results over fifteen fixed sites.Specifically,the site-averaging model reproduces vibrationally elastic scattering probabilities quite well,though less well for vibrationally inelastic results at high energies.These results support the use of the site-averaging model to reduce computational costs in future investigations on the state-to-state scattering dynamics of heavy diatomic or polyatomic molecules from metal surfaces,where full-dimensional calculations are too expensive.
文摘In this paper, parameter plane synthesis of a three-phase neutral-point clamped bidirectional rectifier has been performed. The converter involves one outer-loop PI voltage controller and two inner-loop PI current controllers for the closed-loop control. D-partition technique has been employed for the precise design of the voltage controller. The performance of the converter has been evaluated using MATLAB/Simulink software. An experimental prototype of converter has been developed and the experimental investigation of converter in closed-loop has been carried out. DSP DS 1104 of dSPACE has been used for real-time implementation of the designed controller. The performance of the converter has been found satisfactory using the designed controller parameters.
