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Electron excitation processes in low energy collisions of hydrogen-helium atoms

Chinese physics B 2022年第12期31卷 213-218页

作者： Kun Wang Chuan Dong Yi-Zhi Qu Ling Liu Yong Wu Xu-Hai Hong Robert J.Buenker Institute of Environmental Science Shanxi UniversityTaiyuan 030006China College of Optoelectronics University of Chinese Academy of SciencesBeijing 100049China National Key Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing 100088China School of Physics and Electronic Technology Liaoning Normal UniversityDalian 116029China Fachbereich C-Mathematik und Naturwissenschaften Bergische Universitat WuppertalD-42097 WuppertalGermany

The electron excitation processes of H(1s)+He(1s^(2))→H(2s/2p)+He(1s^(2))are studied in impact energy range of 20-2000 e V/u by using the quantum-mechanical molecular orbital close-coupling(QMOCC)*** and state-selective cross sections have been obtained and compared with the available theoretical and experimental *** results agree well with available measurements in the overlapping energy regions *** comparison of our results with other theoretical calculations further demonstrates the importance of considering a sufficient number of *** datasets presented in this paper,including the excitation cross sections,are openly available at https://***/10.57760/sciencedb.j00113.00083.

关键词： electron excitation processes low energy collision quantum-mechanical molecular orbital close-coupling method cross section

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EXISTENCE RESULTS FOR SINGULAR FRACTIONAL p-KIRCHHOFF PROBLEMS

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Acta Mathematica Scientia 2022年第3期42卷 1209-1224页

作者： Mingqi XIANG Vicent iu D.RADULESCU Binlin ZHANG College of Science Civil Aviation University of ChinaTianjin 300300China Faculty of Applied Mathematics AGH University of Science and Technologyal.Mickiewicza 3030-059 Krak´owPoland Department of Mathematics University of CraiovaStreet A.I.Cuza No.13200585 CraiovaRomania Institute of Mathematics Physics and MechanicsJadranska 191000 LjubljanaSlovenia College of Mathematics and Systems Science Shandong University of Science and TechnologyQingdao 266590China

This paper is concerned with the existence and multiplicity of solutions for singular Kirchhoff-type problems involving the fractional p-Laplacian *** precisely,we study the following nonlocal problem:{M (∫∫_(R2N)|x|^(α1p)|y|^(α2p)|u(x) − u(y)|^(p)/|x − y|^(N+ps) dxdy)L_(p)^(s)u = |x| ^(β)f(u) in Ω,u = 0 in R^(N) \ Ω,where L_(p)^(s) is the generalized fractional p-Laplacian operator,N≥1,s∈(0,1),α_(1),α_(2),β∈R,Ω■R^(N) is a bounded domain with Lipschitz boundary,and M:R0^(+)→R0^(+),f:Ω→R are continuous ***,we introduce a variational framework for the above ***,the existence of least energy solutions is obtained by using variational methods,provided that the nonlinear term f has(θ_(p-1))-sublinear growth at ***,the existence of infinitely many solutions is obtained by using Krasnoselskii’s genus ***,we obtain the existence and multiplicity of solutions if f has(θ_(p-1))-superlinear growth at *** main features of our paper are that the Kirchhoff function may vanish at zero and the nonlinearity may be singular.

关键词： Fractional Kirchhoff equation singular problems variational and topological methods

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Ergodicity for the fractional Magneto-Hydrodynamic equations driven by a degenerate pure jump noise

arXiv

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arXiv 2025年

作者： Wang, Xue Huang, Jianhua Zhang, Jiangwei College of Science National University of Defense Technology Changsha410073 China Institute of Applied Physics and Computational Mathematics Beijing100088 China

This paper is concerned with the ergodicity for stochastic 2D fractional magneto-hydrodynamic equations on the two-dimensional torus driven by a highly degenerate pure jump Lévy noise. We focus on the challenging case where the noise acts in as few as four directions, establishing new results for such high degeneracy. We first employ Malliavin calculus and anticipative stochastic calculus to demonstrate the equi-continuity of the semigroup (or so-called the e-property), and then verify the weak irreducibility of the solution process. Therefore, the uniqueness of invariant measure is proven. Copyright © 2025, The Authors. All rights reserved.

关键词： Differentiation (calculus)

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Electromigration Effects in Processes of Nano- Structured Thin Films Growth 12

Electromigration Effects in Processes of Nano- Structured Th...

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12th IEEE International Conference "Nanomaterials: Applications and Properties", NAP 2022

作者： Dvornichenko, Alina Kharchenko, Vasyl Kharchenko, Dmitrii Petrov, Serhii Sumy State University Dpt. Applied Mathematics And Modeling Of Complex Systems Sumy Ukraine Sumy State University Institute Of Applied Physics National Academy Of Sciences Of Ukraine Sumy Ukraine Institute Of Applied Physics National Academy Of Sciences Of Ukraine Sumy Ukraine Sumy State University Dpt. Computer Science Sumy Ukraine

ISBN: (数字)9781665489829

ISBN: (纸本)9781665489829

We discuss effects of electromigration in processes of nano-structured thin films growth at condensation from gaseous phase end epitaxial growth in the framework of numerical simulations. It will be shown that an increase in the strength of the electric field applied to the substrate promotes formation of percolate structures of adsorbate. We will analyze dynamics of the surface morphology change in details. This study provides insight into details of electromigration effects at self-organization of adatoms into percolating adsorbate islands during nano-structured thin films growth at both condensation from the gaseous phase and epitaxial growth of multi-layer pyramidal-like adsorbate structures. © 2022 IEEE.

关键词： Surface morphology

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Documentation of epistemic metadata by a mid-level ontology of cognitive processes 3

Documentation of epistemic metadata by a mid-level ontology ...

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3rd Joint Ontology Workshops, Episode VIII: The Svear Sommar of Ontology, JOWO 2022

作者： Horsch, Martin Thomas Schembera, Björn Department of Data Science Faculty of Science and Technology Norwegian University of Life Sciences Drøbakveien 31 1430 Ås Norway Faculty of Mathematics and Physics Institute of Applied Analysis and Numerical Simulation University of Stuttgart Pfaffenwaldring 57 Stuttgart70569 Germany

Epistemic metadata, i.e., knowledge and validity claims, provenance descriptions, and grounding of research conclusions, contain information that is relevant to substantiating the knowledge status of data. They constitute the annotation required for communicating interpretations that raw research outcomes are given by researchers, and for making these interpretations intelligible and acceptable to others. Therefore, epistemic metadata are that which needs to become FAIR whenever epistemic opacity and darkness of data are to be avoided. The present work addresses the challenge of documenting epistemic metadata in a way that integrates well into the pre-existing semantic landscape from national research data infrastructures and European digitalization platforms such as those related to EOSC and EMMC ASBL. It is explored how an ontology that formalizes cognition in a way inspired by the triadic structure of Peircean semiotics can advance FAIRness of epistemic metadata and support the development of materials digitalization platforms such as molecular modelling interoperability infrastructures. © 2022 Copyright for this paper by its authors. Use permitted under Creative Commons License Attribution 4.0 International (CC BY 4.0).

关键词： Metadata

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Two physics-Based Schwarz Preconditioners for Three-Temperature Radiation Diffusion Equations in High Dimensions

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Communications in Computational physics 2022年第8期32卷 829-849页

作者： Xiaoqiang Yue Jianmeng He Xiaowen Xu Shi Shu Libo Wang National Center for Applied Mathematics in Hunan Key Laboratory of Intelligent Computing&Information Processing of Ministry of EducationHunan Key Laboratory for Computation and Simulation in Science and EngineeringXiangtan UniversityXiangtan 411105P.R.China Laboratory of Computational Physics Institute of Applied Physics and ComputationalMathematicsBeijing 100094P.R.China College of Information Science and Technology JinanUniversityGuangzhou 510632P.R.China

We concentrate on the parallel,fully coupled and fully implicit solution of the sequence of 3-by-3 block-structured linear systems arising from the symmetrypreserving finite volume element discretization of the unsteady three-temperature radiation diffusion equations in high *** this article,motivated by[***,***,***,SIAM *** ***.33(2012)653–680]and[***,***,***,***.442(2021)110513],we aim to develop the additive and multiplicative Schwarz preconditioners subdividing the physical quantities rather than the underlying domain,and consider their sequential and parallel implementations using a simplified explicit decoupling factor approximation and algebraic multigrid subsolves to address such linear ***,computational efficiencies and parallel scalabilities of the proposed approaches are numerically tested in a number of representative real-world capsule implosion benchmarks.

关键词： Radiation diffusion equations Schwarz methods algebraic multigrid parallel and distributed computing

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Implementation of full-potential screened spherical wave based muffin-tin orbital for all-electron density functional theory

arXiv

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arXiv 2025年

作者： Zhang, Aixia Zhang, Qingyun Chen, Zhiyi Wu, Yong Ke, Youqi School of Physical Science and Technology ShanghaiTech University Shanghai201210 China Institute of Applied Physics and Computational Mathematics Beijing100088 China

Screened spherical wave (SSW) of the Hankel function features the complete, minimal and short-ranged basis set, presenting a compact representation for electronic systems. In this work, we report the implementation of full-potential (FP) SSW based tight-binding linearized Muffin-Tin orbital (TB-LMTO) for all-electron density functional theory (DFT), and provide extensive tests on the robustness of FP-TB-LMTO and its high accuracy for first-principles material simulation. Through the introduction of double augmentation, SSW based MTO is accurately represented on the double grids including the full-space uniform and dense radial grids. Based on the the double augmentation, the accurate computation of full charge density, full potential,complex integral in the interstitial region and the total energy are all effectively addressed to realize the FP-TB-LMTO for DFT self-consistent calculations. By calculating the total energy,band structure, phase ordering, and elastic constants for a wide variety of materials, including normal metals, compounds, and diamond silicon, we domenstrate the highly accurate numerical implemetation of FP-TB-LMTO for all-electron DFT in comparison with other well-established FP method. The implementation of FP-TB-LMTO based DFT offers an important tool for the accurate first-principles tight-binding electronic structure calculations, particular important for the large-scale or strongly correlated materials. Copyright © 2025, The Authors. All rights reserved.

关键词： Hankel functions

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Electron capture and target excitation in intermediate-energy He+−H collisions

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Physical Review A 2024年第1期109卷 012801-012801页

作者： J. W. Gao Y. Y. Qi Y. Wu J. G. Wang N. Sisourat A. Dubois School of Physics Hangzhou Normal University 311121 Hangzhou China College of Data Science Jiaxing University Jiaxing 314001 China Key Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics 100088 Beijing China Center for Applied Physics and Technology HEDPS Peking University 100871 Beijing China Sorbonne Université CNRS UMR 7614 Laboratoire de Chimie Physique-Matière et Rayonnement 75005 Paris France

We present all-electron close-coupling calculations of cross sections for electron capture and target excitation occurring in 0.25–200 keV/u He+−H collisions. We show overall good agreements with available experimental data for total electron capture, n=2 target excitation, and related Hα emission. We especially focus on nℓ-selective capture and excitation processes and critically compare our results with those from previous theoretical investigations. Our results confirm the oscillatory structures observed in the spin-averaged H(2s) and H(2p) excitation cross sections for impact energies below 50 keV/u. Furthermore, we interpret these oscillations as the consequence of interferences between excitation to H(2s) and H(2p0) in both spin-singlet and spin-triplet symmetries, as well as between electron capture to He(1s2p1P, |ML|=1) and excitation to H(2p1) in spin-singlet symmetry.

关键词： Atomic & molecular collisions Charge-transfer collisions

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Measurement-induced asymmetry in bipartite networks

arXiv

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arXiv 2024年

作者： Lowe, A. Medina-Guerra, E. Aston University Department of Applied Mathematics and Data Science BirminghamB4 7ET United Kingdom Department of Condensed Matter Physics Weizmann Institute of Science Rehovot7610001 Israel

We consider an interacting bipartite network through a Bayesian game-theoretic framework and demonstrate that weak measurements introduce an inherent asymmetry that is not present when using standard projective measurements. These asymmetries are revealed in the expected payoff for a Bayesian version of the Prisoner's dilemma, demonstrating that certain advantages can be found for given subsystems depending on the measurements performed in the network. We demonstrate that this setup allows measurement-induced control for one of the respective parties. © 2024, CC BY.

关键词： Game theory

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Improved Image Classification with Manifold Neural Networks

Improved Image Classification with Manifold Neural Networks

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International Conference on Acoustics, Speech, and Signal Processing (ICASSP)

作者： Caio F. Deberaldini Netto Zhiyang Wang Luana Ruiz Department of Applied Mathematics and Statistics Mathematical Institute for Data Science (MINDS) Data Science and Artificial Intelligence Institute (DSAI) Johns Hopkins University Baltimore USA Department of Electrical and Systems Engineering University of Pennsylvania Philadelphia USA

ISBN: (数字)9798350368741

ISBN: (纸本)9798350368758

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting from GNNs’ message-passing framework. However, the potential of GNNs in more general data representations, especially in the image domain, remains underexplored. Leveraging the manifold hypothesis, which posits that high-dimensional data lies in a low-dimensional manifold, we explore GNNs’ potential in this context. We construct an image manifold using variational autoencoders, then sample the manifold to generate graphs where each node is an image. This approach reduces data dimensionality while preserving geometric information. We then train a GNN to predict node labels corresponding to the image labels in the classification task, and leverage convergence of GNNs to manifold neural networks to analyze GNN generalization. Experiments on MNIST and CIFAR10 datasets demonstrate that GNNs generalize effectively to unseen graphs, achieving competitive accuracy in classification tasks.

关键词： Manifolds Electric potential High dimensional data Autoencoders Transportation Signal processing Graph neural networks Molecular biology Speech processing Image classification

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