Equations of guiding-center motion without the coordinate singularity at the magnetic axis have been derived from the guiding-center Lagrangian.The poloidal magnetic flux is suggested to be included as one of the nons...Equations of guiding-center motion without the coordinate singularity at the magnetic axis have been derived from the guiding-center Lagrangian.The poloidal magnetic flux is suggested to be included as one of the nonsingular coordinates for the computation of the guidingcenter orbit.The numerical results based on different nonsingular coordinates are verified using the GCM code which is based on canonical variables.A comparison of numerical performance among these nonsingular coordinates and canonical coordinates has been carried out by checking the conservation of energy and toroidal canonical momentum.It is found that by using the poloidal magnetic flux in the nonsingular coordinate system,the numerical performance of nonsingular coordinates can be greatly improved and is comparable to that of canonical variables in long-time simulations.展开更多
The chemical bonding nature of rare earth（RE） elements can be studied by a quantitative analysis of electron domain of an atom. The outer electrons of RE elements are within the valence shell 4f^（0-14）5d^（0-1）6s...The chemical bonding nature of rare earth（RE） elements can be studied by a quantitative analysis of electron domain of an atom. The outer electrons of RE elements are within the valence shell 4f^（0-14）5d^（0-1）6s^2, which are involved in all chemical bonding features. We in this work found that the chemical bonding characteristics of 4f electrons are a kind of hybridizations, and classified them into three types of chemical bonding of 4f^（0-14）5d^（0-1）6s^2, furthermore, the coordination number ranging from 2 to 16 could thus be determined. We selected Y（NO_3）_3, La（NO_3）_3, Ce（NO_3）_3, YCl_3, LaCl_3, and CeCl_3 as examples to in-situ observe their IR spectra of chemical bonding behaviors of Y^（3＋）, La^（3＋） and Ce^（3＋） cations, which could show different chemical bonding modes of 4f and 5d electrons. In the present study, we obtained the direct criterion to confirm whether 4f electrons can participate in chemical bonding, that is, only when the coordination number of RE cations is larger than 9.展开更多
基金supported by National Natural Science Foundation of China(Nos.11175178,11375196,11105175 and 11105185)the National Magnetic Confinement Fusion Science Program of China(No.2014GB113000)
文摘Equations of guiding-center motion without the coordinate singularity at the magnetic axis have been derived from the guiding-center Lagrangian.The poloidal magnetic flux is suggested to be included as one of the nonsingular coordinates for the computation of the guidingcenter orbit.The numerical results based on different nonsingular coordinates are verified using the GCM code which is based on canonical variables.A comparison of numerical performance among these nonsingular coordinates and canonical coordinates has been carried out by checking the conservation of energy and toroidal canonical momentum.It is found that by using the poloidal magnetic flux in the nonsingular coordinate system,the numerical performance of nonsingular coordinates can be greatly improved and is comparable to that of canonical variables in long-time simulations.
基金supported by the National Natural Science Foundation of China(51125009,91434118,21401185,21521092)Hundred Talents Program of Chinese Academy of SciencesJilin Province Science and Technology Development Project(20170101092JC,20160520006JH)
文摘The chemical bonding nature of rare earth（RE） elements can be studied by a quantitative analysis of electron domain of an atom. The outer electrons of RE elements are within the valence shell 4f^（0-14）5d^（0-1）6s^2, which are involved in all chemical bonding features. We in this work found that the chemical bonding characteristics of 4f electrons are a kind of hybridizations, and classified them into three types of chemical bonding of 4f^（0-14）5d^（0-1）6s^2, furthermore, the coordination number ranging from 2 to 16 could thus be determined. We selected Y（NO_3）_3, La（NO_3）_3, Ce（NO_3）_3, YCl_3, LaCl_3, and CeCl_3 as examples to in-situ observe their IR spectra of chemical bonding behaviors of Y^（3＋）, La^（3＋） and Ce^（3＋） cations, which could show different chemical bonding modes of 4f and 5d electrons. In the present study, we obtained the direct criterion to confirm whether 4f electrons can participate in chemical bonding, that is, only when the coordination number of RE cations is larger than 9.
