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Systematic calculations of transition rates for forbidden lines in 4f2(4f12)ions

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Systematic calculations of transition rates for forbidden li...

第五届全国计算原子与分子物理学术会议

作者： Hui Li xiao-yu kuang Institute of Atomic and Molecular Physics Sichuan University

The experimental free ion 4f energy levels for Yb have been fitted to the standard f-shell free-ion Hamiltonian which includes the major electrostatic and spin-orbit terms as well as various minor contributions like two-body,spin-spin,spin-other-orbit and electrostatically correlated spin-orbit ***,the fitted values of free ion parameters and the corresponding eigenstates are used to calculate the oscillator strengths for all absorption transitions and the spontaneous emission rates for all magnetic dipole and electric quadrupole transitions originating from levels of the 4f configuration in Ba-like ions La,Ce,Pr and Nd and the conjugate electron configuration 4fin Dy-like Yb *** calculated results are also compared with some findings available in the literature.

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Formation and properties of iron-based magnetic superhalogens:A theoretical study

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Formation and properties of iron-based magnetic superhalogen...

第五届全国计算原子与分子物理学术会议

作者： Li-Ping Ding xiao-yu kuang Peng Shaoa Institute of Atomic and Molecular Physics Sichuan University

In order to explore new magnetic superhalogens,we have systematically investigated the structures,electrophilic properties,stabilities,magnetic properties and fragmentation channels of neutral and anionic FeF(m=1,2;n=1-7) clusters using density functional *** results show that a maximum of six F atoms can be bound atomically to one Fe atom,and the Fe-Fe bonding is not preferred in FeF *** computed electron affinities indicate that FeF with n ≥ 3 are superhalogens,while FeF can be classified as superhalogens for n ≥ *** further understand their superhalogen characteristic,the NPA charge distribution and the HOMOs of anionic clusters were also *** the extra negative charge and the content of HOMO are mainly located on F atoms,the clusters could be classified as superhalogens with EAs substantially surpass that of *** calculating the binding energies per atom and the HOMO-LOMO gaps,FeF,FeF,FeF,FeF and FeF clusters were found to have the higher stabilities,corresponding to the Fe atoms are attained at their favorite +2 and +3 oxidation ***,we also predicted the most preferred fragmentation channel and product for all the ground state *** more striking is the fact that both neutral and anionic FeF(m=1,2;n=1-7) clusters carry large magnetic moments which mainly come from 3d orbital of iron atom.

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Study of the Structural and Electronic Properties of Neutral and Charged Niobium-Doped Silicon Clusters: Niobium Encapsulated in Silicon Cages

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Study of the Structural and Electronic Properties of Neutral...

第六届全国计算原子与分子物理学术会议

作者： Xin-Xin Xia Andreas Hermann xiao-yu kuang a yuan-yuan Jin Cheng Lu xiao-Dong Xing Institute of Atomic and Molecular Physics Sichuan University Department of Physics Nanyang Normal University Beijing Computational Science Research Center

Emissions of carbon oxides,particularly carbon dioxide(CO

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Pressure effect on the properties of magnetic moments and phase transitions in YMnO3 from first principles

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Pressure effect on the properties of magnetic moments and ph...

第六届全国计算原子与分子物理学术会议

作者： Jun-Shuai Chai Hao Tian Ai-Jie Mao Li-Juan Deng xiao-yu kuang Institute of Atomic and Molecular Physics Sichuan University

We report the properties of magnetic,electronic,phonon frequencies and magnetic phase transitions in orthorhombic perovskite YMn O3 by means of first-principles *** results argue that the magnetic ground state is indeed E-type antiferromagnetic ordering at zero temperature and zero *** the range of 0 to 150 GPa,the magnetic phase undergoes two evolutions:first is E(Pmn2)-to-A(Pnma)-AFM

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Large polarization and dielectric response in epitaxial SrZrO3 films

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Large polarization and dielectric response in epitaxial SrZr...

第六届全国计算原子与分子物理学术会议

作者： Hao Tian Ai-Jie Mao Hong Jian Zhao Yingqi Cui Hui Li xiao-yu kuang Institute of Atomic and Molecular Physics Sichuan University

First-principles calculations are performed to investigate ferroelectric and dielectric properties of(001)epitaxial Sr Zr O3 thin *** condensing the polar instability,the ferroelectric Pmc21 and Ima2 phases can coexist under tensile strain(3.7%.7%).Another new Pmc21 state(P>56μC/cm2)occurs above 5.7%tensile *** paraelectric I4/mcm and ferroelectric P4mm phase emerge around-3.7% and -7.4%

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COMPrompter: reconceptualized segment anything model with multiprompt network for camouflaged object detection

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Science China(Information Sciences) 2025年第1期68卷 189-203页

作者： xiaoqin ZHANG Zhenni yu Li ZHAO Deng-Ping FAN Guobao xiao Zhejiang Province Key Laboratory of Intelligent Informatics for Safety and Emergency Wenzhou University Nankai International Advanced Research Institute (SHENZHEN FUTIAN) College of Computer Science Nankai University School of Computer Science and Technology Tongji University

We rethink the segment anything model(SAM) and propose a novel multiprompt network called COMPrompter for camouflaged object detection(COD). SAM has zero-shot generalization ability beyond other models and can provide an ideal framework for COD. Our network aims to enhance the single prompt strategy in SAM to a multiprompt strategy. To achieve this, we propose an edge gradient extraction module, which generates a mask containing gradient information regarding the boundaries of camouflaged objects. This gradient mask is then used as a novel boundary prompt, enhancing the segmentation process. Thereafter, we design a box-boundary mutual guidance module, which fosters more precise and comprehensive feature extraction via mutual guidance between a boundary prompt and a box prompt. This collaboration enhances the model's ability to accurately detect camouflaged objects. Moreover, we employ the discrete wavelet transform to extract high-frequency features from image embeddings. The high-frequency features serve as a supplementary component to the multiprompt ***, our COMPrompter guides the network to achieve enhanced segmentation results, thereby advancing the development of SAM in terms of COD. Experimental results across COD benchmarks demonstrate that COMPrompter achieves a cutting-edge performance, surpassing the current leading model by an average positive metric of 2.2% in COD10K. In the specific application of COD, the experimental results in polyp segmentation show that our model is superior to top-tier methods as well. The code will be made available at https://***/guobaoxiao/COMPrompter.

关键词： segment anything model camouflaged object detection boundary prompt

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Theoretical Investigations of the Local Structure Distortion and EPR Parameter for Ni2＋-doped Perovskite Fluorides

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Chinese Journal of Chemical Physics 2011年第2期24卷 167-172,I0003页

作者：曹喜民邝小渝李成刚柴瑞鹏四川大学原子与分子物理研究所成都610064 中国科学院国际材料物理中心沈阳110016

By analyzing the optical spectra and electron paramagnetic resonance parameter D, the local structure distortion of （NiF6）4- clusters in AMF3 （A=K, Rb; M=Zn, Cd, Ca） and K2ZnF4 series are studied using the complete energy matrix based on the double spin-orbit coupling parameter model for configuration ions in a tetragonal ligand field. The results indicate that the contribution of ligand to spin-orbit coupling interaction should be considered for our studied systems. Moreover, the relationships between D and the spin-obit coupling coefficients as well as the average parameter and the divergent parameter are discussed.

关键词： Complete energy matrix Double spin-orbit coupling parameter model Local structure distortion

Observation of acoustic hybrid topological phases induced by the p-d orbital interactions

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 132-139页

作者： xiao Xiang Feng Gao yu-Gui Peng Peng Wu Zong-Lin Li Xue-Feng Zhu School of Physics and Innovation Institute Huazhong University of Science and Technology

In spinless systems,growing attention has recently been attracted to synthetic gauge fields,which redefine the fundamental crystal symmetries by utilizing the projective algebraic ***,synthetic gauge fields have been commonly investigated in single orbital systems,and explorations on hybrid orbitals remain elusive in ***,we report the experimental observation of hybrid topological phases induced by hybrid synthetic gauge flux,which is formed by the interaction between p and d orbitals embedded in acoustic *** breaking the translation symmetries of Lxand/or Ly,we unambiguously demonstrate the first-order M?bius edge states and higher-order corner *** work establishes a platform for seeking exotic topological phases induced by hybrid-orbitals interactions and initializing the framework of hybrid-orbitalsrelated topological *** applications can be anticipated in scenarios such as high-quality sensing and robust wave trapping due to the stepwise energy distribution of the hybrid topological phase.

关键词： topological insulator synthetic gauge field projective symmetry corner states

Experimental Observing Damage Evolution in Cement Pastes Exposed to External Sulfate Attack by in situ X-ray Computed Tomography

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Journal of Wuhan University of Technology(Materials Science) 2025年第1期40卷 164-170页

作者： WU Min CAO Kailei xiao Weirong yu Zetai CAO Jierong DING Qingjun LI Jinhui China Railway Construction Corporation Harbour and Channel Engineering Bureau Group Co. LTDZhuhai 519000China Con-struction Headquarters of Zhoushan Liuheng Bridge Phase II Project Zhoushan 316000China China Railway Construction Bridge En-gineering Bureau Group Co. LTDTianjin 300000China State Key Laboratory of Silicate Material for Architecture(Wuhan University of Technology) Wuhan 430070China College of Materials Science and Engineering Wuhan Textile UniversityWuhan 430200China

The paper presents experimental investigation results of crack pattern change in cement pastes caused by external sulfate attack(ESA).To visualize the formation and development of cracks in cement pastes under ESA,an X-ray computed tomography(X-ray CT)was used,i e,the tomography system of Zeiss Xradia 510 *** results indicate that X-CT can monitor the development process and distribution characteristics of the internal cracks of cement pastes under ESA with attack *** addition,the C3A content in the cement significantly affects the damage mode of cement paste specimens during sulfate *** damage of ordinary Portland cement(OPC)pastes subjected to sulfate attack with high C3A content are severe,while the damage of sulfate resistant Portland cement(SRPC)pastes is much smaller than that of OPC ***,a quadratic function describes the correlation between the crack volume fraction and development depth for two cement pastes immermed in sulfate solution.

关键词： concrete external sulfate attack damage evolution situ X-ray computed tomography

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