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Optimizations and applications in large-scale scenes of Monte Carlo geometry conversion code CMGC

Nuclear Science and Techniques 2025年第4期36卷 220-232页

作者： Xin Wang Ling-Yu Zhang Xue-Ming Shi Zhen Wu Jun-Li Li Gui-Ming Qin Yuan-Guang Fu CAEP Software Center for High Performance Numerical Simulation Beijing 100088China Institute of Applied Physics and Computational Mathematics Beijing 100088China Department of Engineering Physics Tsinghua UniversityBeijing 100084China

In response to the demand for rapid geometric modeling in Monte Carlo radiation transportation calculations for large-scale and complex geometric scenes,functional improvements,and algorithm optimizations were performed using CAD-to-Monte Carlo geometry conversion(CMGC)*** representation(BRep)to constructive solid geometry(CSG)conversion and visual CSG modeling were combined to address the problem of non-convertible geometries such as spline *** splitting surface assessment method in BRep-to-CSG conversion was optimized to reduce the number of Boolean operations using an Open ***,in turn,reduced the probability of CMGC conversion *** auxiliary surface generation algorithm was optimized to prevent the generation of redundant auxiliary surfaces that cause an excessive decomposition of CAD geometry *** optimizations enhanced the usability and stability of the CMGC model *** was applied successfully to the JMCT transportation calculations for the conceptual designs of five China Fusion engineering Test Reactor(CFETR)*** rapid replacement of different blanket schemes was achieved based on the baseline CFETR *** geometric solid number of blankets ranged from hundreds to tens of *** correctness of the converted CFETR models using CMGC was verified through comparisons with the MCNP calculation *** CMGC supported radiation field evaluations for a large urban scene and detailed ship *** enabled the rapid conversion of CAD models with thousands of geometric solids into Monte Carlo CSG *** analysis of the JMCT transportation simulation results further demonstrated the accuracy and effectiveness of the CMGC.

关键词： Monte Carlo CAD BRep to CSG CMGC

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Application of large language models to quantum state simulation

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Science China(physics,Mechanics & Astronomy) 2025年第4期68卷 45-61页

作者： Shuangxiang Zhou Ronghang Chen Zheng An Chao Zhang Shi-Yao Hou College of Physics and Electronic Engineering Center for Computational SciencesSichuan Normal UniversityChengdu 610068China Department of Physics The Hong Kong University of Science and TechnologyHong Kong 999077China

Quantum computers leverage the unique advantages of quantum mechanics to achieve acceleration over classical computers for certain ***,various quantum simulators provide powerful tools for researchers,but simulating quantum evolution with these simulators often incurs high time ***,resource consumption grows exponentially as the number of quantum bits *** address this issue,our research aims to utilize Large Language Models(LLMs)to simulate quantum *** paper details the process of constructing 1-qubit and 2-qubit quantum simulator models,extending to multiple qubits,and ultimately implementing a 3-qubit *** study demonstrates that LLMs can effectively learn and predict the evolution patterns among quantum bits,with minimal error compared to the theoretical output *** when dealing with quantum circuits comprising an exponential number of quantum gates,LLMs remain computationally ***,our results highlight the potential of LLMs to predict the outputs of complex quantum dynamics,achieving speeds far surpassing those required to run the same process on a quantum *** finding provides new insights and tools for applying machine learning methods in the field of quantum computing.

关键词： large language models quantum simulation quantum computing

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Laboratorial radiative shocks with multiple parameters and first quantifying verifications to core-collapse supernovae

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Science Bulletin 2024年第20期69卷 3188-3191页

作者： Lu Zhang Jianhua Zheng Zhenghua Yang Tianming Song Shuai Zhang Tong Liu Yunfeng Wei Longyu Kuang Longfei Jing Zhiwei Lin Liling Li Hang Li Jinhua Zheng Pin Yang Yuxue Zhang Zhiyu Zhang Yang Zhao Zhibing He Ping Li Dong Yang Jiamin Yang Zongqing Zhao Yongkun Ding Research Center of Laser Fusion China Academy of Engineering PhysicsMianyang 621900China Department of Astronomy Xiamen UniversityXiamen 361005China Institute of Applied Physics and Computational Mathematics Beijing 100088China

A radiative shock(RS)is one in which the density and temperature structures are affected by radiation from the shock-heated *** plays a special role in astrophysics as it nontrivially combines both hydrodynamics and radiation *** most astrophysical shocks,the temperature and density conditions lead to strong emission,with radiation thus playing a major role therein.

关键词： shocks radiative shock

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Strong-coupling superconductivity with Tc above 70 K in Be-decorated monolayer T-graphene

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Science China(physics,Mechanics & Astronomy) 2024年第1期67卷 99-105页

作者： Liu Yang Peng-Fei Liu Hao-Dong Liu Ya-Ping Li Na Jiao Hong-Yan Lu Bao-Tian Wang Ping Zhang School of Physics and Physical Engineering Qufu Normal UniversityQufu 273165China Institute of High Energy Physics Chinese Academy of SciencesBeijing 100049China Spallation Neutron Source Science Center Dongguan 523803China Institute of Applied Physics and Computational Mathematics Beijing 100088China

Using first-principles calculations,we predict a new type of two-dimensional(2D)beryllium(Be)-decorated T-graphene named BeC_(2),where Be atoms are inserted into C–C bonds linking the carbon tetrarings of *** band structure shows that BeC_(2)is metallic,thus,the possible phonon-mediated superconductivity is explored based on the Eliashberg *** calculated electron-phonon coupling(EPC)constantλis up to 4.07,and the corresponding superconducting critical temperature(Tc)is 72.1 K,approaching the liquid nitrogen *** reason for the high Tc is the strong *** it is proved to be an anisotropic single-gap superconductor by analyzing the superconducting gap?kof BeC_(2).The electronic susceptibility calculation shows strong nesting effect in BeC_(2).Since rare 2D superconductors show such a strong EPC constantλwhich originates from the coupling between electrons in C-pzorbital and in-plane vibrations of Be and C atoms,the predicted BeC_(2)provides a new platform for investigating strong EPC 2D superconductor.

关键词： two-dimensional carbon-based superconductor electron-phonon coupling strong coupling high superconducting critical temperature

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Spectroscopy and molecule opacity investigation on excited states of SiS

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Chinese physics B 2024年第5期33卷 381-387页

作者：李瑞吕浩男桑纪群刘晓华梁桂颖吴勇 College of Teacher Education Qiqihar UniversityQiqihar 161006China National Key Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Department of Physics College of ScienceQiqihar UniversityQiqihar 161006China School of Data Science and Artificial Intelligence Jilin Engineering Normal UniversityChangchun 130052China HEDPS Center for Applied Physics and TechnologyPeking UniversityBeijing 100084China

The SiS molecule,which plays a significant role in space,has attracted a great deal of attention for many *** to complex interactions among its low-lying electronic states,precise information regarding the molecular structure of SiS is *** obtain accurate information about the structure of its excited states,the high-precision multireference configuration interaction(MRCI)method has been *** method is used to calculate the potential energy curves(PECs)of the 18Λ–S states corresponding to the lowest dissociation limit of *** core–valence correlation effect,Davidson’s correction and the scalar relativistic effect are also included to guarantee the precision of the MRCI *** on the calculated PECs,the spectroscopic constants of quasi-bound and bound electronic states are calculated and they are in accordance with previous experimental *** transition dipole moments(TDMs)and dipole moments(DMs)are determined by the MRCI *** addition,the abrupt variations of the DMs for the 1^(5)Σ^(+)and 2^(5)Σ^(+)states at the avoided crossing point are attributed to the variation of the electronic *** opacity of SiS at a pressure of 100 atms is presented across a series of *** increasing temperature,the expanding population of excited states blurs the band boundaries.

关键词： SiS opacity excited state spectroscopic constant configuration interaction

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Al_(1-x)Sc_(x)Sb_(y)N_(1-y):An opportunity for ferroelectric semiconductor field effect transistor

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Science China(physics,Mechanics & Astronomy) 2024年第11期67卷 133-140页

作者： Shujin Guo Xianghua Kong Hong Guo College of Physics and Electronic Engineering Center for Computational SciencesSichuan Normal UniversityChengdu 610068China College of Physics and Optoelectronic Engineering Shenzhen UniversityShenzhen 518060China Department of Physics McGill UniversityMontreal H3A 2T8Canada

For the in-memory computation architecture,a ferroelectric semiconductor field-effect transistor(FeSFET)incorporates ferroelectric material into the FET channel to realize logic and memory in a single *** emerging groupⅢnitride material Al_(1-x)Sc_(x)N provides an excellent platform to explore FeSFET,as this material has significant electric polarization,ferroelectric switching,and high carrier ***,steps need to be taken to reduce the large band gap of~5 eV of Al_(1-x)Sc_(x)N to improve its transport property for in-memory logic *** state-of-the-art first principles analysis,here we predict that alloying a relatively small amount(less than~5%)of Sb impurities into Al_(1-x)Sc_(x)N very effectively reduces the band gap while maintaining excellent *** show that the co-doped Sb and Sc act cooperatively to give a significant band bowing leading to a small band gap of~1.76 eV and a large polarization parameter~0.87 C/m^(2),in the quaternary Al_(1-x)Sc_(x)Sb_(y)N_(1-y)*** Sb impurity states become more continuous as a result of interactions with Sc and can be used for impurity-mediated *** on the Landau-Khalatnikov model,the Landau parameters and the corresponding ferroelectric hysteresis loops are obtained for the quaternary *** findings indicate that Al_(1-x)Sc_(x)Sb_(y)N_(1-y)is an excellent candidate as the channel material of FeSFET.

关键词： ferroelectricity Al_(1-x)Sc_(x)N FeSFET

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Theoretical Prediction of Superconductivity in Boron Kagome Monolayer:MB3(M=Be,Ca,Sr)and the Hydrogenated CaB3

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Chinese physics Letters 2023年第1期40卷 53-59页

作者：杨柳李牙平刘浩东焦娜倪美燕路洪艳张平 C.S.Ting School of Physics and Physical Engineering Qufu Normal UniversityQufu 273165China Institute of Applied Physics and Computational Mathematics Beijing 100088China Texas Center for Superconductivity and Department of Physics University of HoustonHoustonTexas 77204USA

Using first-principles calculations, we predict a new type of two-dimensional(2D) boride MB3(M = Be,Ca, Sr), constituted by boron kagome monolayer and the metal atoms adsorbed above the center of the boron hexagons. The band structures show that the three MB3compounds are metallic, thus the possible phononmediated superconductivity is explored. Based on the Eliashberg equation, for BeB3, CaB3, and SrB3, the calculated electron–phonon coupling constants λ are 0.46, 1.09, and 1.33, and the corresponding superconducting transition temperatures Tc are 3.2, 22.4, and 20.9 K, respectively. To explore superconductivity with higher transition temperature, hydrogenation and charge doping are further considered. The hydrogenated CaB3, i.e.,HCaB3, is stable, with the enhanced λ of 1.39 and a higher Tc of 39.3 K. Moreover, with further hole doping at the concentration of 5.8 × 1011hole/cm2, the Tc of HCaB3can be further increased to 44.2 K, exceeding the Mc Millan limit. The predicted MB3and HCaB3provide new platforms for investigating 2D superconductivity in boron kagome lattice since superconductivity based on monolayer boron kagome lattice has not been studied before.

关键词： boron doping superconductivity

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Majorana zero mode assisted spin pumping

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Frontiers of physics 2024年第5期19卷 85-94页

作者： Mingzhou Cai Zhaoqi Chu Zhen-Hua Wang Yunjing Yu Bin Wang Jian Wang State Key Laboratory of Radio Frequency Heterogeneous Integration College of Physics and Optoelectronic EngineeringShenzhen UniversityShenzhen 518060China College of Physics and Electronic Engineering and Center for Computational SciencesSichuan Normal UniversityChengdu 610068China Department of Physics The University of Hong KongHong KongChina

We present a theoretical investigation of Majorana zero mode(MZM)assisted spin pumping which consists of a quantum dot(QD)and two normal *** the coupling between the MZM and the QD is absent,*** spin current can be excited by a rotating magnetic field where low energy spin down electrons are flipped to high energy spin up electrons by absorbing ***,when the coupling is turned on,the *** spin current vanishes,and an *** current emerges with its magnitude independent of the coupling *** reveal that this change is due to the formation of a highly localized MZM assisted topological Andreev state at the Fermi level,which allows only the injection of electron pairs with opposite spin into the *** absorbing or emitting photons,the electron pairs are separated to opposite spin electrons,and then return back to the lead again,generating an *** current without spin *** demonstrate the switching from *** spin current to *** current based on both Kitaev model and a more realistic topological superconductor *** this switching can also be induced by partially separated Andreev bound state(ps-ABS)in the topological trivial phase,it is extremely unstable and highly sensitive to the Zeeman field,which is different from the switching induced by *** result suggests that quantum spin pumping may be a feasible local transport method for detecting the presence of MZMs at the ends of a superconducting nanowire.

关键词： Majorana zero mode spin pumping

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Debye-screening effect on electron-impact excitation of helium-like Al^(11+)and Fe^(24+)ions

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Chinese physics B 2022年第4期31卷 299-304页

作者： Yu-Long Ma Ling Liu Lu-You Xie Yong Wu Deng-Hong Zhang Chen-Zhong Dong Yi-Zhi Qu Jian-Guo Wang College of Physics and Electronic Engineering Northwest Normal UniversityLanzhou 730070China Key Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Center for Applied Physics and Technology Peking UniversityBeijing 100084China School of Optoelectronics University of Chinese Academy of SciencesBeijing 100049China

Debye-screening effects on the electron-impact excitation(EIE)processes for the dipole-allowed transition 1 s_(2)^(1)S→1 s2 p^(1)P in He-like Al^(11+)and Fe^(24+)ions are investigated using the fully relativistic distorted-wave methods with the Debye-Huckel(DH)model ***-screening effects on the continuum-bound(CB)interaction and target ion are discussed,both of which result in reduction of EIE cross *** reduction due to screening on the CB interaction is *** non-spherical and spherical DH potentials are adopted for considering the screening effect on the CB *** is found that the spherical DH potential could significantly overestimate the influence of plasma screening on EIE cross sections for multielectron He-like ions.

关键词： Debye plasmas electron-impact excitation Debye-Hückel model potential He-like Al^(11+)and Fe^(24+)ions

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M1 transition energy and rate in the ground configuration of Ag-like ions with 62 ≤ Z ≤ 94

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Chinese physics B 2022年第1期31卷 221-226页

作者： Ju Meng Wen-Xian Li Ji-Guang Li Ze-Qing Wu Jun Yan Yong Wu Jian-Guo Wang National Key Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China Key Laboratory of Solar Activity National Astronomical ObservatoriesChinese Academy of SciencesBeijing 100012China HEDPS Center for Applied Physics and Technologyand College of EngineeringPeking UniversityBeijing 100871China

Systematic calculations and assessments are performed for the magnetic dipole(M1)transition energies and rates between the ^(2)F^(o)_(5/2,7/2) levels in the ground configuration 4d104f along the Ag-like isoelectronic sequence with 62≤Z≤94 based on the second-order many-body perturbation theory implemented in the Flexible Atomic *** electron correlations,Breit interaction and quantum electrodynamics effects are taken into account in the present *** accuracy and reliability of our results are evaluated through comprehensive comparisons with available measurements and other theoretical *** transition energies,our results are in good agreement with the recent experimental data obtained from the electron beam ion traps within 0.18%.The maximum discrepancy between our results and those obtained with the large-scale multiconfiguration Dirac–Hartee–Fock calculations by Grumer et al.[***.A 89062501(2014)]is less than 0.13%along the isoelectronic ***,the corresponding M1 transition rates are also *** present results can be used as the benchmark and useful for spectra simulation and diagnostics of astrophysical and fusion plasmas.

关键词： Ag-like ions magnetic dipole transition fine-structure splitting

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