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Multipurpose composites with switched surface functionality and morphology based on oligoperoxide-modified electrospun nanofiber

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applied Nanoscience (Switzerland) 2023年第11期13卷 7155-7170页

作者： Datsyuk, Vitaliy Mitina, Nataliya Zaichenko, Alexander Trotsenko, Svitlana Balaban, Oksana Harhay, Khrystyna Teucher, Markus Izhyk, Oleh Grygorchak, Ivan Sygellou, Labrini Trotsenko, Oleksandr Stoika, Rostyslav Klyuchivska, Olga Fachbereich Physik Institut Für Experimentalphysik Freie Universität Berlin Arnimallee 14 Berlin14195 Germany Department of Organic Chemistry Institute of Chemistry and Chemical Technologies and Department of Applied Physics and Nanomaterials Science Institute of Applied Mathematics and Fundamental Sciences Lviv Polytechnic National University Lviv79013 Ukraine Institute of Chemical Engineering and High-Temperature Processes Foundation of Research and Technology Hellas Laboratory of Surface Characterization Patras26504 Greece Department of Textiles Merchandising and Interiors University of Georgia Nanostructure Materials Lab AthensGA30602 United States Institute of Cell Biology NAS of Ukraine Lviv79005 Ukraine

A new approach toward obtaining polymer nanofibers via electrospinning the blend of polybenzimidazole (PBI) and surface-active oligoperoxide for further creation of smart polymer composites with tailored surface functionality via polymerization initiated from the large-area PBI nanofiber sheets is presented. The peroxide fragments localized on the nanofiber surface due to poor immiscibility of the polymers in the blend provide "fiber-initiated" radical polymerization aiming variation of the functionality, height, and packing density of grafted polymer brushes according to the application requirements. PBI-based nanofiber 2D sheets of the variable packing density of grafted poly(hydroxyethyl methacrylate) (poly(HEMA)) or poly(dimethylaminoethyl methacrylate) (poly(DMAEMA)) brushes were synthesized. The structure, morphology, and special unique properties of new nanofiber-based composites studied using combined techniques demonstrate the ability of our advanced technology to produce smart functional materials for enhanced multi-purpose performance. The nanofiber sheets functionalized with grafted poly(HEMA) brushes were studied as biocompatible scaffolds for the immobilization and growth of mammalian cells and tissues. Poly(DMAEMA)-modified nanofiber composites possess enhanced dielectric permittivity providing their potential application in nanoelectronics. © 2023, King Abdulaziz City for science and Technology.

关键词： Polymerization

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Molecular Opacity Calculations for Lithium Hydride at Low Temperature

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Chinese physics Letters 2020年第12期37卷 24-30页

作者： Gui-Ying Liang Yi-Geng Peng Rui Li Yong Wu Jian-Guo Wang Institute of Applied Physics and Computational Mathematics Beijing 100088China Department of Applied Physics Nanjing University of Science and TechnologyNanjing 210094China Department of Physics College of ScienceQiqihar UniversityQiqihar 161006China HEDPS Center for Applied Physics and TechnologyPeking UniversityBeijing 100084China

The opacities of the lithium hydride molecule are calculated for temperatures of 300 K,1000 K,1500 K,and 2000 K,at a pressure of 10 atm,in which the contributions from the five low-lying electronic states are *** ab initio multi-reference single and double excitation configuration interaction(MRDCI)method is applied to compute the potential energy curves(PECs)of the 7 LiH,including four 1∑+states and one 1Πstate,as well as the corresponding transition dipole moments between these *** ro-vibrational energy levels are calculated based on the PECs obtained,together with the spectroscopic *** addition,the partition functions are also computed,and are provided at temperatures ranging from 10 K to 2000 K for 7 LiH,7 LiD,6 LiH,and 6 LiD.

关键词： Lithium hydride partition

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Nonlinear stability of rarefaction waves for a viscous radiative and reactive gas with large initial perturbation

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science China mathematics 2021年第12期64卷 2637-2666页

作者： Guiqiong Gong Lin He Yongkai Liao School of Mathematics and Statistics Wuhan UniversityWuhan 430072China Hubei Key Laboratory of Computational Science Wuhan UniversityWuhan 430072China College of Mathematics Sichuan UniversityChengdu 610064China Institute of Applied Physics and Computational Mathematics Beijing 100088China

We investigate the time-asymptotically nonlinear stability of rarefaction waves to the Cauchy problem of a one-dimensional compressible Navier-Stokes type system for a viscous,compressible,radiative and reactive gas,where the constitutive relations for the pressure p,the speci c internal energy e,the speci c volume v,the absolute temperature θ,and the specific entropy s are given by p=Rθv+aθ^(4)/3,e=C_(v)θ+avθ^(4),and s=C_(v)lnθ+4avθ^(3)/3+Rln v with R>0,C_(v)>0 and a>0 being the perfect gas constant,the speci c heat and the radiation constant,*** such a specific gas motion,a somewhat surprising fact is that,generally speaking,the pressure p(v,s)is not a convex function of the specific volume v and the specific entropy *** so,we show in this paper that the rarefaction waves are time-asymptotically stable for large initial perturbation provided that the radiation constant a and the strength of the rarefaction waves are sufficiently *** key point in our analysis is to deduce the positive lower and upper bounds on the specific volume and the absolute temperature,which are uniform with respect to the space and the time variables,but are independent of the radiation constant a.

关键词： viscous radiative and reactive gas rarefaction waves nonlinear stability large initial perturbation

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Spatial second-order positive and asymptotic preserving unified gas kinetic schemes for radiative transfer equations

Spatial second-order positive and asymptotic preserving unif...

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第十二届全国流体力学学术会议

作者： Xiaojing Xu Song Jiang Wenjun Sun School of Mathematics and Physics Southwest University of Science and Technology Institute of Applied Physics and Computational Mathematics Center for Applied Physics and Technology College of Engineering Peking University

We propose two spatial second-order schemes for linear radiative transfer equations by using the idea of the unified gas kinetic scheme(UGKS) to construct the numerical boundary fluxes,and show that the proposed schemes are both positive and asymptotic preserving. The UGKS was proposed by Xu and Huang [29] for continuum and rarefied flows firstly, and was then applied to a linear radiative transfer equation by Mieussens in [20] where the asymptotic preserving property of UGKS is shown. Although it is asymptotic preserving, UGKS can not always keep the positivity of solutions. We first apply UGKS to discretize a linear radiative transfer equation to have a spatial second-order scheme. Then, by a detailed analysis of the numerical boundary fluxes, we are able to find the reasons why the positive preserving property of UGKS fails. Finally, we carefully employ a linear scaling limiter and a flux correction to make UGKS positive-preserving but still asymptotic-preserving. Consequently, we propose two spatial second-order positive and asymptotic preserving unified gas kinetic schemes for the linear radiative transfer equation, thus improving the earlier work [32] where only a first-order positive and asymptotic scheme is developed. The proposed schemes can well capture the solution of the diffusion limit equation in optically thick regions without requiring the cell size being smaller than the photon's mean free path, while the solution in optically thin regions can also be well resolved in a natural way. To our best knowledge,this is the first time that a spatial high-order(second-order) positive and asymptotic preserving gas kinetic scheme for linear radiative transfer equations is constructed. Several numerical experiments are included to validate the spatial second-order accuracy, positive-and asymptotic-preserving properties of the proposed schemes.

关键词： Radiative transfer equation unified gas kinetic scheme discrete ordinate method second-order scheme positive preserving asymptotic preserving

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Existence and multiplicity of solutions for m-polyharmonic Kirchhoff problems without Ambrosetti–Rabinowitz conditions

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Complex Variables and Elliptic Equations 2024年第11期69卷 1853-1869页

作者： Harrabi, A. Hamdani, M.K. Fiscella, A. Mathematics Department Northern Borders University Arar Saudi Arabia Mathematics Department University of Kairouan Higher Institute of Applied Mathematics and Informatics Kairouan Tunisia Abdus Salam International Centre for Theoretical Physics Trieste Italy Science and Technology for Defense Laboratory LR19DN01 Center for Military Research Military Academy Tunis Tunisia Military School of Aeronautical Specialities Sfax Tunisia Mathematics Department Faculty of Science of Sfax University of Sfax Sfax Tunisia Dipartimento di Matematica e Applicazioni Università degli Studi di Milano-Bicocca Milano Italy

In this paper, we prove the existence of infinitely many solutions for a class of quasilinear elliptic m-polyharmonic Kirchhoff equations where the nonlinear function has a quasicritical growth at infinity and without assuming the Ambrosetti and Rabinowitz type condition. The new aspect consists in employing the notion of a Schauder basis to verify the geometry of the symmetric mountain pass theorem. Furthermore, we introduce a positive quantity (Formula presented.) similar to the first eigenvalue of the m-polyharmonic operator to find a mountain pass solution, and also to discuss the sublinear case under large growth conditions at infinity and at zero. Our results are an improvement and generalization of the corresponding results obtained by Colasuonno-Pucci (Nonlinear Analysis: Theory, Methods and Applications, 2011) and Bae-Kim (Mathematical Methods in the applied sciences, 2020). © 2023 Informa UK Limited, trading as Taylor & Francis Group.

关键词： Kirchhoff equations Krasnoselskii genus theory m-Polyharmonic operator Palais-Smale condition schauder basis symmetric mountain pass theorem

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Quality and Efficiency of Manual Annotation: Pre-annotation Bias

arXiv

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arXiv 2023年

作者： Mikulová, Marie Straka, Milan Štěpánek, Jan Štěpánková, Barbora Hajič, Jan Institute of Formal and Applied Linguistics Computer Science School Faculty of Mathematics and Physics Charles University Prague Czech Republic

This paper presents an analysis of annotation using an automatic pre-annotation for a mid-level annotation complexity task - dependency syntax annotation. It compares the annotation efforts made by annotators using a pre-annotated version (with a high-accuracy parser) and those made by fully manual annotation. The aim of the experiment is to judge the final annotation quality when pre-annotation is used. In addition, it evaluates the effect of automatic linguistically-based (rule-formulated) checks and another annotation on the same data available to the annotators, and their influence on annotation quality and efficiency. The experiment confirmed that the pre-annotation is an efficient tool for faster manual syntactic annotation which increases the consistency of the resulting annotation without reducing its quality. Copyright © 2023, The Authors. All rights reserved.

关键词： Efficiency

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Non-LTE ionization potential depression model for warm and hot dense plasma

arXiv

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arXiv 2023年

作者： Wu, Chensheng Zhou, Fuyang Wu, Yong Yan, Jun Gao, Xiang Wang, Jianguo Institute for Applied Physics and Computational Mathematics Beijing100088 China Faculty of Science Kunming University of Science and Technology Kunming650500 China

For warm and hot dense plasma (WHDP), the ionization potential depression (IPD) is a key physical parameter in determining its ionization balance, therefore a reliable and universal IPD model is highly required to understand its microscopic material properties and resolve those existing discrepancies between the theoretical and experimental results. However, the weak temperature dependence of the nowadays IPD models prohibits their application through much of the WHDP regime, especially for the non-LTE dense plasma produced by short-pulse laser. In this work, we propose a universal non-LTE IPD model with the contribution of the inelastic atomic processes, and found that three-body recombination and collision ionization processes become important in determining the electron distribution and further affect the IPD in warm and dense plasma. The proposed IPD model is applied to treat the IPD experiments available in warm and hot dense plasmas and excellent agreements are obtained in comparison with those latest experiments of the IPD for Al plasmas with wide-range conditions of 70-700 eV temperature and 0.2-3 times of solid density, as well as a typical non-LTE system of hollow Al ions. We demonstrate that the present IPD model has a significant temperature dependence due to the consideration of the inelastic atomic processes. With the low computational cost and wide range applicability of WHDP, the proposed model is expected to provide a promising tool to study the ionization balance and the atomic processes as well as the related radiation and particle transports properties of a wide range of WHDP. Copyright © 2023, The Authors. All rights reserved.

关键词： Ionization potential

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Tunable Fano and Dicke effects in quantum transport in double quantum dots sandwiched between topological insulators

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Physical Review B 2025年第15期111卷 155423-155423页

作者： Yuan Hong Zhen-Guo Fu Zhou-Wei-Yu Chen Feng Chi Zhigang Wang Wei Zhang Ping Zhang Institute of Applied Physics and Computational Mathematics and National Key Laboratory of Computational Physics Beijing 100088 China Graduate School China Academy of Engineering Physics Beijing 100088 China School of Mathematics and Computational Science Xiangtan University Xiangtan 411105 China School of Electronic and Information Engineering Zhongshan Institute University of Electronic Science and Technology of China Zhongshan 528400 China

We study the quantum transport in double quantum dots (DQD) sandwiched between surfaces of topological insulator (TI) Bi2Te3, which possess strong spin-orbit coupling (SOC) and dC3v double group symmetry. Different from the spin-conserved case with two-dimensional electron gas (2DEG) electrodes, the conductance displays a universal scaling relation for different Fermi energy associated with the topological nature/linear dispersion of topological surface states. The interplay between direct interdot tunneling and surface state mediated interaction leads to tunable Dicke and Fano effects with changing the interdot distance. We propose nano-rulers with different measurement range and resolution based on the Fano q-factor. Furthermore, when applying an in-plane Zeeman field, a crossover from a double-peak shape to a quad-peak shape in conductance curve appears. Moreover, the rotational symmetry of the system could also be revealed from the conductance pattern. Our findings contribute to a better understanding of the quantum transport in the presence of electrode's SOC topological states.

关键词： Surface states

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New Statistical Framework for Extreme Error Probability in High-Stakes Domains for Reliable Machine Learning

arXiv

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arXiv 2025年

作者： Michelucci, Umberto Venturini, Francesca Computer Science Department Lucerne University of Applied Sciences and Arts Luzern6002 Switzerland TOELT LLC Machine Learning Research and Development Department Winterthur Zurich8406 Switzerland Institute of Applied Mathematics and Physics ZHAW - Zurich University of Applied Sciences Winterthur Zurich8400 Switzerland

Machine learning is vital in high-stakes domains, yet conventional validation methods rely on averaging metrics like mean squared error (MSE) or mean absolute error (MAE), which fail to quantify extreme errors. Worst-case prediction failures can have substantial consequences, but current frameworks lack statistical foundations for assessing their probability. In this work a new statistical framework, based on Extreme Value Theory (EVT), is presented that provides a rigorous approach to estimating worst-case failures. Applying EVT to synthetic and real-world datasets, this method is shown to enable robust estimation of catastrophic failure probabilities, overcoming the fundamental limitations of standard cross-validation. This work establishes EVT as a fundamental tool for assessing model reliability, ensuring safer AI deployment in new technologies where uncertainty quantification is central to decision-making or scientific analysis. © 2025, CC BY-NC-SA.

关键词： Adversarial machine learning

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A Spectral Bipartite Analogue of the Erdős-Sós Conjecture

SSRN

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SSRN 2024年

作者： Geng, Xianya Wei, Wei Feng, Zhiming Center of Intelligent Computing and Applied Statistics School of Mathematics Physics and Statistics Shanghai University of Engineering Science Shanghai China School of Mathematics and Big Data Anhui University of Science & Technology Huainan China School of Mathematics and Statistics Xinyang Normal University Xinyang China

A well-known conjecture of Erdős and Sós states that each graph on ν vertices with size more than ν(t2−1) contains every tree with order t + 1 as a subgraph. In 2010, Nikiforov presented the spectral Erdős-Sós conjecture: Let G be a graph with sufficiently large order ν and spectral radius λ(G), and let t ≥ 2 be an integer, (i) if λ(G) ≥ λ(Kt ∨ Kν−t), then G contains all trees of order 2t + 2 unless G ∼= Kt ∨ Kν−t;(ii) if λ(G) ≥ λ(Kt ∨ (Kν−t−2 ∪ K2)), then G contains all trees of order 2t + 3 unless G ∼= Kt ∨ (Kν−t−2 ∪ K2). Recently, this conjecture was confirmed by Cioabă, Desai and Tait (2022). In this contribution, we resolve the spectral bipartite analogue of the Erdős-Sós conjecture. For sufficiently large ν and positive integer t ≥ 2, we show that the complete bipartite graph Kt,ν−t uniquely maximizes the spectral radius over the set of ν-vertex bipartite graphs each of which does not contain some trees with order 2t + 2 (resp. 2t + 3) as subgraphs. Our proof technique is mainly based on the Zarankiewicz number of a tree, and with the aid of the eigenvector method from Cioabă, Desai and Tait (2022). Some problems are proposed in the end for future research. © 2024, The Authors. All rights reserved.

关键词： Eigenvalues and eigenfunctions

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