B3LYP level density functional theory （DFT） and multiconfiguration self-consistent-field （MCSCF） level ab initio method calculations have been performed on the basis of relativistic effective core potentials to in...B3LYP level density functional theory （DFT） and multiconfiguration self-consistent-field （MCSCF） level ab initio method calculations have been performed on the basis of relativistic effective core potentials to investigate the nature of EuC and EuC2 molecules. The computed results indicate that the ground states of EuC and EuC2 are ^12∑^＋ and SA2, respectively. Dissociation potential energy curves of the low-lying electronic states of EuC have been calculated using the MCSCF method, and the same level calculation on EuC2 indicates that the dissociation energy of EuC2 of ground state compares well with the available experimental data. The bond characteristic is also discussed using Mulliken populations.展开更多
We investigate the microstructures of the pure aluminium foil and filter used on the space solar telescope, irradiated by photons with different doses. The vacancy defect clusters induced by proton irradiation in both...We investigate the microstructures of the pure aluminium foil and filter used on the space solar telescope, irradiated by photons with different doses. The vacancy defect clusters induced by proton irradiation in both samples are characterized by transmission electron microscopy, and the density and the size distribution of vacancy defect clusters are determined. Their transmittances are measured before and after irradiating the samples by protons with energy E = 100 keV and dose φ = 6 × 10^11/mm^2. Our experimental results show that the density and the size of vacancy defect clusters increase with the increase of irradiation doses in the irradiated pure aluminium foils. As irradiation dose increases, vacancies incline to form larger defect clusters. In the irradiated filter, a large number of banded void defects are observed at the agglomerate boundary, which results in the degradation of the optical and mechanical performances of the filter after proton irradiation.展开更多
基金Project supported by the National Natural Science Foundation of China （Grant No 60223003）, Innovation Foundation of Chinese Academy of Sciences and Graduate Innovation Laboratory of Jilin University, China
文摘B3LYP level density functional theory （DFT） and multiconfiguration self-consistent-field （MCSCF） level ab initio method calculations have been performed on the basis of relativistic effective core potentials to investigate the nature of EuC and EuC2 molecules. The computed results indicate that the ground states of EuC and EuC2 are ^12∑^＋ and SA2, respectively. Dissociation potential energy curves of the low-lying electronic states of EuC have been calculated using the MCSCF method, and the same level calculation on EuC2 indicates that the dissociation energy of EuC2 of ground state compares well with the available experimental data. The bond characteristic is also discussed using Mulliken populations.
基金Project supported by the National Natural Science Foundation of China (Grant No. 50671042)the Program for Innovative Research Team of Jangsu University and the Program for Exellent Talents of Jangsu University (Grant No. 07JDG032)
文摘We investigate the microstructures of the pure aluminium foil and filter used on the space solar telescope, irradiated by photons with different doses. The vacancy defect clusters induced by proton irradiation in both samples are characterized by transmission electron microscopy, and the density and the size distribution of vacancy defect clusters are determined. Their transmittances are measured before and after irradiating the samples by protons with energy E = 100 keV and dose φ = 6 × 10^11/mm^2. Our experimental results show that the density and the size of vacancy defect clusters increase with the increase of irradiation doses in the irradiated pure aluminium foils. As irradiation dose increases, vacancies incline to form larger defect clusters. In the irradiated filter, a large number of banded void defects are observed at the agglomerate boundary, which results in the degradation of the optical and mechanical performances of the filter after proton irradiation.
