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Energy levels and magnetic dipole transition parameters for the nitrogen isoelectronic sequence

Chinese physics B 2022年第9期31卷 103-110页

作者： Mu-Hong Hu Nan Wang Pin-Jun Ouyang Xin-Jie Feng Yang Yang Chen-Sheng Wu School of Physics and Electronic Technology Liaoning Normal UniversityDalian 116029China Institute of Applied Physics and Computational Mathematics Beijing 100094China

Theoretical calculations of the energy levels and magnetic dipole transition parameters for the 1s^(2)2s^(2)2p^(3) and 1s^(2)2p^(5) configurations of nitrogen isoelectronic sequence with Z=21-30 are performed using multi-congfiguration Dirac-Fock(MCDF)*** on the relativistic computational code GRASP2k compiled within the framework of MCDF method,the electron correlations,Breit interaction and QED effects are well treated in *** energy levels,line strengths and transition rates of magnetic dipole transition are obtained and compared with the experimental data *** most cases,good agreements are achieved and the relative differences of them are less than 0.114%,8.43% and 9.80%,*** scaling laws of the fine structure splitting and transition rate are obtained on the isoelec-tronic sequence and the corresponding physical mechanisms are *** data sets for tables are openly available at https://***/10.57760/sciencedb.j00113.00022.

关键词： energy level magnetic dipole transition transition rate scaling law nitrogen-like ions multicongfiguration Dirac-Fock(MCDF)method

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Influence of helium on the evolution of irradiation-induced defects in tungsten:An object kinetic Monte Carlo simulation

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Chinese physics B 2021年第8期30卷 94-101页

作者： Peng-Wei Hou Yu-Hao Li Zhong-Zhu Li Li-Fang Wang Xingyu Gao Hong-Bo Zhou Haifeng Song Guang-Hong Lu Department of Physics Beihang UniversityBeijing 100191China Beijing Key Laboratory of Advanced Nuclear Materials and Physics Beihang UniversityBeijing 100191China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

Understanding the evolution of irradiation-induced defects is of critical importance for the performance estimation of nuclear materials under ***,we systematically investigate the influence of He on the evolution of Frenkel pairs and collision cascades in tungsten(W)via using the object kinetic Monte Carlo(OKMC)*** findings suggest that the presence of He has significant effect on the evolution of irradiation-induced *** the one hand,the presence of He can facilitate the recombination of vacancies and self-interstitial atoms(SIAs)in *** can be attributed to the formation of immobile He-SIA complexes,which increases the annihilation probability of vacancies and *** the other hand,due to the high stability and low mobility of He-vacancy complexes,the growth of large vacancy clusters in W is kinetically suppressed by He ***,in comparison with the injection of collision cascades and He in sequential way at 1223 K,the average sizes of surviving vacancy clusters in W via simultaneous way are smaller,which is in good agreement with previous experimental *** results advocate that the impurity with low concentration has significant effect on the evolution of irradiation-induced defects in materials,and contributes to our understanding of W performance under irradiation.

关键词： tungsten helium irradiation-induced defects object kinetic Monte Carlo

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Patterns of Emergent Nonlinear Waves in an Initial Discontinuity Problem of the Bad Jaulent-Miodek Equation

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Acta Mathematicae Applicatae Sinica 2024年

作者： Ya-qing LIU Bo-ling GUO Deng-shan WANG School of Applied Science Beijing Information Science and Technology University Institute of Applied Physics and Computational Mathematics Beijing Laboratory of Mathematics and Complex Systems (Ministry of Education) School of Mathematical Sciences Beijing Normal University

By means of the Whitham modulation theory, this paper studies the discontinuous initial value problem of the bad Jaulent-Miodek(JM) equation, which is compared with the good JM equation. The linear stability of the good and bad JM equations is analyzed to show the difference between the two equations. Also the physical significance of the JM equations is discussed by considering the reduction of the Euler's *** the zero-, one-, two-phase periodic solutions and the corresponding Whitham equations in the framework of the bad JM equation are derived by finite-gap integration approach. The degeneration of the one-phase periodic solution along with the genus-one Whitham equation are analyzed by taking the two sides limits of the modulus m of the Jacobi elliptic functions. The basic rarefaction wave patterns and dispersive shock wave patterns are proposed analytically and graphically, and then the complete classification of solutions and the all possible waveforms evolving from discontinuous initial values in the bad JM equation are established. In the results, various patterns of emergent nonlinear waves that appear to be new and are being detected for the first time.

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Stochastic radiative transfer in random media. III. Effective opacity

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Physical Review E 2025年第4期111卷 044115-044115页

作者： Cong-Zhang Gao Jian-Wei Yin Ying Cai Jian-Guo Wang Institute of Applied Physics and Computational Mathematics Beijing 100088 People's Republic of China

Homogenization of random media is a practical approach to efficiently simulate stochastic radiative transfer, which requires establishing a reliable effective opacity model. In this work, a new effective opacity model is developed by considering the two-point spatial correlations of the opacity fluctuation, which is further simplified by introducing the analytically empirical function of the optical depth. Our new model has been extensively verified by comparing with direct numerical simulations (DNSs) of stochastic radiative transfer in participating random media in two dimensions. A systematic comparison with existing effective opacity models in the literature is made. For more than 50 different sets of physical parameters of random media, including constant and temperature-dependent opacities, it shows that our new model is the most accurate, which can reproduce the DNS transport results within a relative error of 5% in most cases. In contrast, the performance of existing models is problem-dependent, and it yields considerable errors spanning over three orders of magnitude. The reasons why the newly developed model works well and why existing models fail are also discussed. For more realistic problems, radiative transfer in the aluminum-foam mixture is investigated, where our new model shows the best performance among analytical effective opacity models. In addition, the newly developed model's limitations are briefly analyzed.

关键词： Radiative transfer

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Majorana stellar representation for mixed-spin (s, 1/2) systems

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Chinese physics B 2021年第3期30卷 168-175页

作者： Yu-Guo Su Fei Yao Hong-Bin Liang Yan-Ming Che Li-Bin Fu Xiao-Guang Wang Zhejiang Province Key Laboratory of Quantum Technology and Device Department of PhysicsZhejiang UniversityHangzhou 310027China National Laboratory of Science and Technology on Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China

By describing the evolution of a quantum state with the trajectories of the Majorana stars on a Bloch sphere,Majorana’s stellar representation provides an intuitive geometric perspective to comprehend the quantum system with highdimensional Hilbert ***,the representation of a two-spin coupling system on a Bloch sphere has not been solved satisfactorily ***,a practical method is presented to resolve the problem for the mixed-spin(s,1/2)system and describe the entanglement of the *** system can be decomposed into two spins:spin-(s+1/2)and spin-(s−1/2)at the coupling bases,which can be regarded as independent ***,any pure state may be written as a superposition of two orthonormal states with one spin-(s+1/2)state and the other spin-(s−1/2)***,the whole initial state can be regarded as a state of a pseudo spin-1/*** this way,the mixed spin decomposes into three ***,the state can be represented by(2s+1)+(2s−1)+1=4s+1 sets of stars on a Bloch ***,some examples are given to show symmetric patterns on the Bloch sphere and unveil the properties of the high-spin system by analyzing the trajectories of the Majorana stars on the Bloch sphere.

关键词： Majorana’s stellar representation Bloch sphere high-dimensional projective Hilbert space mixedspin

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Uniform local well-posedness and inviscid limit for the Benjamin-Ono-Burgers equation

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Science China mathematics 2022年第8期65卷 1553-1576页

作者： Mingjuan Chen Boling Guo Lijia Han Department of Mathematics Jinan UniversityGuangzhou510632China Institute of Applied Physics and Computational Mathematics Beijing100088China Department of Mathematics and Physics North China Electric Power UniversityBeijing102206China

In this paper,we study the Cauchy problem for the Benjamin-Ono-Burgers equation ∂_(t)u−ϵ∂^(2)/_(x)u+H∂^(2)_(x)u+uu_(x)=0,where H denotes the Hilbert transform *** obtain that it is uniformly locally well-posed for small data in the refined Sobolev space H~σ(R)(σ■0),which is a subspace of L2(ℝ).It is worth noting that the low-frequency part of H~σ(R)is scaling critical,and thus the small data is *** high-frequency part of H~σ(R)is equal to the Sobolev space Hσ(ℝ)(σ■0)and reduces to L2(ℝ).Furthermore,we also obtain its inviscid limit behavior in H~σ(R)(σ■0).

关键词： Benjamin-Ono-Burgers equation Cauchy problem inviscid limit behavior

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Electron-impact ionization cross section calculations for lithium-like ions

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Chinese physics B 2022年第1期31卷 241-247页

作者： Guo-Jie Bian Jyh-Ching Chang Ke-Ning Huang Chen-Sheng Wu Yong-Jun Cheng Kai Wang Yong Wu National Key Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Department of Physics National Tsing Hua UniversityHsinchu 300China Institute of Atomic and Molecular Physics Sichuan UniversityChengdu 610065China School of Physics and Information Technology Shaanxi Normal UniversityXi'an 710119China Hebei Key Laboratory of Optic-electronic Information and Materials The College of Physics Science and TechnologyHebei UniversityBaoding 071002China HEDPS Center for Applied Physics and Technologyand College of EngineeringPeking UniversityBeijing 100871China

The electron-impact ionization of lithium-like ions C^(3+),N^(4+),O^(5+),Ne^(7+),and Fe2^(3+)is studied using a combination of two-potential distorted-wave and R-matrix methods with a relativistic *** cross sections are computed for incident energies from 1 to 10 times of ionization energy and better agreements with the experimental results are obtained in comparison with the theoretical data *** is found that the indirect ionization processes become significant for the incident energy larger than about four times of the ionization *** from the exchange effects along the isoelectronic sequence are also discussed and found to be *** present method can be used to obtain systematic ionization cross sections for highly charged ions across a wide incident energy range.

关键词： total cross sections electron-impact ionization excitation-autoionization distorted-wave

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Chemical reaction mechanisms and models of energetic materials: A perspective

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Energetic Materials Frontiers 2025年第1期6卷 129-144页

作者： Meng, Li Song, Qing-guan Yao, Chuang Zhang, Lei Pang, Si-ping School of Materials Science & Engineering Beijing Institute of Technology Beijing100081 China Institute of Applied Physics and Computational Mathematics Beijing100088 China Institute of Chemical Materials China Academy of Engineering Physics Mianyang621999 China of Chongqing School of Materials Science and Engineering Yangtze Normal University Chongqing408100 China

Energetic materials (EMs) are a kind of metastable functional materials with certain potential barriers, overcoming which can quickly release the energy stored in EMs. A thorough understanding of reaction mechanisms and accurate quantification of reaction rates are fundamental issues for optimizing energy output, ensuring hazard mitigation, and assessing the safety levels of EMs. This perspective provides an overview of research progress in chemical reaction mechanisms and models, with a particular emphasis on organic EMs and reactive metals. Organic EMs are mainly composed of carbon, hydrogen, nitrogen, and oxygen elements, enabling supersonic and self-sustaining detonation reactions capable of significant energy output. The incorporation of reactive metals like aluminum, magnesium, and boron has been recently found to augment the combustion heat and explosion temperature of EM formulations, sparking heightened research interest. This perspective first presents both EMs’ reaction mechanisms revealed via multiscale simulations and experimental methods, including thermal decomposition, shock initiation, and post combustion. Then, quantitatively characterized expressions of the physical models derived from the revealed mechanisms, including mathematical expressions like elementary and phenomenological reaction kinetic models, and emerging data-driven machine learning models, are reviewed. Finally, the view of the application, existing problems, and further development directions are outlined. © 2024 The Authors

关键词： Reaction rates

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l^(2) Decoupling for Certain Surfaces of Finite Type in R^(3)

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Acta Mathematica Sinica,English Series 2023年第8期39卷 1442-1458页

作者： Zhuo Ran LI Ji Qiang ZHENG School of Mathematics and Statistics Yancheng Teachers UniversityYancheng 224002P.R.China Institute of Applied Physics and Computational Mathematics P.O.Box 8009Beijing 100088P.R.China

In this article,we establish an 2 decoupling inequality for the surface F_(4)^(2):={(ξ1,ξ2,ξ_(1)^(4)+ξ_(2)^(4)):(ξ1,ξ2)∈[0,1]^(2)}associated with the decomposition adapted to finite type geometry from our previous work[Li,Z.,Miao,C.,Zheng,J.:A restriction estimate for a certain surface of finite type in R^(3).*** ***.,27(4),Paper No.63,24 pp.(2021)].The key ingredients of the proof include the so-called generalized rescaling technique,an l^(2) decoupling inequality for the surfaces{(ξ1,ξ2,φ1(ξ1)+ξ42):(ξ1,ξ2)∈[0,1]^(2)}with φ1 being non-degenerate,reduction of dimension arguments and induction on scales.

关键词： Decoupling inequality finite type reduction of dimension arguments induction on scales

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Molecule opacity study on low-lying states of CS

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Chinese physics B 2022年第10期31卷 362-370页

作者： Rui Li Jiqun Sang Xiaohe Lin Jianjun Li Guiying Liang Yong Wu Department of Physics College of ScienceQiqihar UniversityQiqihar 161006China National Key Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Faculty of Foundation Space Engineering UniversityBeijing 101416China School of Data Science and Artificial Intelligence Jilin Engineering Normal UniversityChangchun 130052China HEDPS Center for Applied Physics and TechnologyPeking UniversityBeijing 100084China

CS molecule, which plays a key role in atmospheric and astrophysical circumstances, has drawn great attention for long time. Owing to its large state density, the detailed information of the electronic structure of CS is still lacking. In this work, the high-level MRCI+Q method is used to compute the potential energy curves, dipole moments and transition dipole moments of singlet and triplet states correlated with the lowest dissociation limit of CS, based on which high accurate vibration-rotation levels and spectroscopic constants of bound states are evaluated. The opacity of CS relevant to atmospheric circumstance is computed at a pressure of 100 atms for different temperatures. With the increase of temperature,band systems from different transitions mingle with each other, and band boundaries become blurred, which are originated from the increased population on vibrational excited states and electronic excited states at high temperature.

关键词： CS transition dipole moment opacity excited state

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