A new method of 3D transient eddy current field calculation is proposed. The Maxwell equations with time component elimination （METCE） are derived under the assumption of magnetic quasi static approximation, especia...A new method of 3D transient eddy current field calculation is proposed. The Maxwell equations with time component elimination （METCE） are derived under the assumption of magnetic quasi static approximation, especially for the sample of low conductivity. Based on METCE, we deduce a more efficient reconstruction algorithm of a 3D transient eddy current field. The computational burden is greatly reduced through the new algorithm, and the computational efficiency is improved. This new algorithm decompounds the space-time variables into two individual variables. The idea is to solve the spatial vector component firstly, and then multiply it by the corresponded time component. The iterative methods based on METCE are introduced to recover the distribution of conductivity in magneto-acoustic tomography. The reconstructed images of conductivity are consistent with the original distribution, which validate the new method.展开更多
On the basis of the-improved self-exchange model of reorganization phenomenon and accurate potential functions from ab initio calculation at HFSCF 6-31G* and DZP levels a new calculation method was,presented for the i...On the basis of the-improved self-exchange model of reorganization phenomenon and accurate potential functions from ab initio calculation at HFSCF 6-31G* and DZP levels a new calculation method was,presented for the inner-sphere reorganization energy, values for diatomic molecular redox couples in gas phase electron transfer process have been calculated. Results agree well with the experimental data, and the effectiveness and importance of this method have been demonstrated for calculation of inner-sphere reorganization energy in gas phase electron transfer process.展开更多
基金Supported by the National Natural Science Foundation of China under Grant Nos 51137004,61427806 and 51577184the Equipment Development Project of Chinese Academy of Sciences under Grant No YZ201507
文摘A new method of 3D transient eddy current field calculation is proposed. The Maxwell equations with time component elimination （METCE） are derived under the assumption of magnetic quasi static approximation, especially for the sample of low conductivity. Based on METCE, we deduce a more efficient reconstruction algorithm of a 3D transient eddy current field. The computational burden is greatly reduced through the new algorithm, and the computational efficiency is improved. This new algorithm decompounds the space-time variables into two individual variables. The idea is to solve the spatial vector component firstly, and then multiply it by the corresponded time component. The iterative methods based on METCE are introduced to recover the distribution of conductivity in magneto-acoustic tomography. The reconstructed images of conductivity are consistent with the original distribution, which validate the new method.
文摘On the basis of the-improved self-exchange model of reorganization phenomenon and accurate potential functions from ab initio calculation at HFSCF 6-31G* and DZP levels a new calculation method was,presented for the inner-sphere reorganization energy, values for diatomic molecular redox couples in gas phase electron transfer process have been calculated. Results agree well with the experimental data, and the effectiveness and importance of this method have been demonstrated for calculation of inner-sphere reorganization energy in gas phase electron transfer process.
