We studied the excitation spectra in the case of Xe@(p-H2)n embedded in a solid-state parahydrogen, making use of the ab initio molecular orbital method (QMO), in order to seek the possibility of the radiative emissio...We studied the excitation spectra in the case of Xe@(p-H2)n embedded in a solid-state parahydrogen, making use of the ab initio molecular orbital method (QMO), in order to seek the possibility of the radiative emission of the neutrino pair (RENP) process that may be associated with the E1 × M1 transition processes. By means of a QMO calculation, the remarkable matrix effect was found in the structure of the electronic states. Three E1-type excitation bands (ε1, ε2, ε3, in the order of increasing energy) in the UV absorption were found. In the present preliminary calculation, the second was too close to be clearly/well distinguished as an independent peak observed in the last experiment. Nevertheless, across the second (ε2) band, two associated bands that may link to the M1-type transition were found. Therefore, the M1-type de-excitation process may be probable with the help of intensity borrowing from the ε2 band, which may support the probability of the RENP process.展开更多
We have studied why PA （post-annealing） takes a long time to restore damaged crystallinity, which corresponds to repeat 10 10 times of lattice vibrations. Using a MD （molecular dynamics） simulation, we monitored t...We have studied why PA （post-annealing） takes a long time to restore damaged crystallinity, which corresponds to repeat 10 10 times of lattice vibrations. Using a MD （molecular dynamics） simulation, we monitored the time-series of the LRO （long-range order） parameter as LRO pattern, in the case of a type IIa diamond, from the beginning of ion impact by a sub-keV N2 beam implantation to a few nanoseconds, i.e., close to the feasible time limit for MD simulations. Due to the ion impact, the LRO parameter changed gradually from ＂LRO = 1＂ （crystal） to ＂LRO = 0＂ （amorphous）, showing the so-called critical slowing-down phenomenon. However, since PA was started the LRO pattern was not unique. The LRO patterns were grouped into more than three types of phases and the transition between them was also found. From the viewpoint of statistical dynamics, such chaotic variations in the LRO pattern may present that the system is a GCM （globally coupled map） of a complex system in a closed system. A GCM composed of coupled oscillators develops slowly to exhibit several different phases or ‘chaotic itinerancy＇ over time. Therefore, the long duration required for PA may be attributable to the nature of a complex system.展开更多
文摘We studied the excitation spectra in the case of Xe@(p-H2)n embedded in a solid-state parahydrogen, making use of the ab initio molecular orbital method (QMO), in order to seek the possibility of the radiative emission of the neutrino pair (RENP) process that may be associated with the E1 × M1 transition processes. By means of a QMO calculation, the remarkable matrix effect was found in the structure of the electronic states. Three E1-type excitation bands (ε1, ε2, ε3, in the order of increasing energy) in the UV absorption were found. In the present preliminary calculation, the second was too close to be clearly/well distinguished as an independent peak observed in the last experiment. Nevertheless, across the second (ε2) band, two associated bands that may link to the M1-type transition were found. Therefore, the M1-type de-excitation process may be probable with the help of intensity borrowing from the ε2 band, which may support the probability of the RENP process.
文摘We have studied why PA （post-annealing） takes a long time to restore damaged crystallinity, which corresponds to repeat 10 10 times of lattice vibrations. Using a MD （molecular dynamics） simulation, we monitored the time-series of the LRO （long-range order） parameter as LRO pattern, in the case of a type IIa diamond, from the beginning of ion impact by a sub-keV N2 beam implantation to a few nanoseconds, i.e., close to the feasible time limit for MD simulations. Due to the ion impact, the LRO parameter changed gradually from ＂LRO = 1＂ （crystal） to ＂LRO = 0＂ （amorphous）, showing the so-called critical slowing-down phenomenon. However, since PA was started the LRO pattern was not unique. The LRO patterns were grouped into more than three types of phases and the transition between them was also found. From the viewpoint of statistical dynamics, such chaotic variations in the LRO pattern may present that the system is a GCM （globally coupled map） of a complex system in a closed system. A GCM composed of coupled oscillators develops slowly to exhibit several different phases or ‘chaotic itinerancy＇ over time. Therefore, the long duration required for PA may be attributable to the nature of a complex system.
