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arXiv 2025年

作者： Wang, Xiaoyang Zhang, Chengqian Wang, Zhenyu Liu, Hanyu Lv, Jian Wang, Han Weinan, E. Ma, Yanming National Key Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Fenghao East Road 2 Beijing100094 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China Key Laboratory of Material Simulation Methods & Software of Ministry of Education State Key Laboratory of Superhard Materials College of Physics Jilin University Changchun130012 China International Center of Future Science Jilin University Changchun130012 China HEDPS CAPT College of Engineering Peking University Beijing100871 China AI for Science Institute Beijing100080 China Center for Machine Learning Research Peking University Beijing100871 China School of Mathematical Sciences Peking University Beijing100871 China

The discovery of novel high-temperature superconductor materials holds transformative potential for a wide array of technological applications. However, the combinatorially vast chemical and configurational search space poses a significant bottleneck for both experimental and theoretical investigations. In this study, we employ the design of high-temperature ternary superhydride superconductors as a representative case to demonstrate how this challenge can be well addressed through a deep-learning-driven theoretical framework. This framework integrates high-throughput crystal structure exploration, physics-informed screening, and accurate prediction of superconducting critical temperatures. Our approach enabled the exploration of approximately 36 million ternary hydride structures across a chemical space of 29 elements, leading to the identification of 144 potential high-Tc superconductors with predicted Tc > 200 K and superior thermodynamic stability at 200 GPa. Among these, 129 compounds spanning 27 novel structural prototypes are reported for the first time, representing a significant expansion of the known structural landscape for hydride superconductors. This work not only greatly expands the known repertoire of high-Tc hydride superconductors but also establishes a scalable and efficient methodology for navigating the complex landscape of multinary hydrides. © 2025, CC BY.

关键词： High temperature superconductors

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Analysis of growing tumor on the flow velocity of cerebrospinal fluid in human brain using computational modeling and fluid-structure interaction

arXiv

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arXiv 2021年

作者： Uzair-Ul-Haq, Muhammad Ahmed, Ali Mustansar, Zartasha Shaukat, Arslan Margetts, Lee Waris, Asim Nadeem, Faizan Department of Biomedical Engineering & Sciences School of Mechanical & Manufacturing Engineering National University of Sciences and Technology Islamabad44000 Pakistan Department of Computational Engineering Research center of Modelling and Simulation National University of Sciences and Technology Islamabad44000 Pakistan Department of Computer & Software Engineering College of Electrical & Mechanical Engineering National University of Sciences and Technology Islamabad44000 Pakistan Department of Mechanical Aerospace and Civil Engineering University of Manchester United Kingdom Nuclear Medicine specialist associated with INMOL cancer hospital Lahore Pakistan

Cerebrospinal fluid (CSF) plays a pivotal role in normal functioning of Brain. Intracranial compartments such as blood, brain and CSF are incompressible in nature. Therefore, if a volume imbalance in one of the aforenoted compartments is observed, the other reaches out to maintain net change to zero. Whereas, CSF has higher compliance over long term. However, if the CSF flow is obstructed in the ventricles, this compliance may get exhausted early. Brain tumor on the other hand poses a similar challenge towards destabilization of CSF flow by compressing any section of ventricles thereby ensuing obstruction. To avoid invasive procedures to study effects of tumor on CSF flow, numerical-based methods such as Finite element modeling (FEM) are used which provide excellent description of underlying pathological interaction. A 3D fluid-structure interaction (FSI) model is developed to study the effect of tumor growth on the flow of cerebrospinal fluid in ventricle system. The FSI model encapsulates all the physiological parameters which may be necessary in analyzing intraventricular CSF flow behavior. Findings of the model show that brain tumor affects CSF flow parameters by deforming the walls of ventricles in this case accompanied by a mean rise of 74.23% in CSF flow velocity and considerable deformation on the walls of ventricles. © 2021, CC BY-SA.

关键词： Brain

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Shock Response in Cage-like Polynitrocubane High-Energy-Density Materials: Competition between Strain Energy and Structural Symmetry

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Energetic Materials Frontiers 2025年

作者： Qing-guan Song Li Meng Sheng-li Jiang Lei Zhang Ze-yao Mo Institute of Applied Physics and Computational Mathematics Beijing 100088 China CAEP Software Center for High Performance Numerical Simulation Beijing 100088 China Institute of Chemical Materials China Academy of Engineering Physics Mianyang 621999 China School of Materials Science & Engineering Beijing Institute of Technology Beijing 100081 China State Key Laboratory of Explosion Science and Safety Protection Beijing Institute of Technology Beijing 100081 China

The cage-like structures provide a unique combination of strain energy for enhanced energy storage and hyperstatic constraints to stabilize the system, positioning them as promising pioneers in advancing high-energy-density materials (HEDMs). However, the shock response of cage-like HEDMs is highly complex and exhibits significant variability, posing a grand challenge in the underlying mechanisms. This study reveals that the shock response of cage-like HEDMs is regulated by the interplay between strain energy and structural symmetry, and introduces a physical model to quantitatively describe how they determine shock stability. The investigated systems include a comprehensive series of cage-like polynitrocubane HEDMs, with each carbon atom in the backbone progressively functionalized with nitro groups. Ab initio molecular dynamics (AIMD) simulations were employed to simulate dynamic and kinetic responses at shock velocities ranging from 8 km·s -1 to 11 km·s -1 , with validation provided by consistent Hugoniot curves that align with reported experimental data. Nitro groups at the carbon-based cage structure, recognized as explosion functional groups, were found to substantially increase the system's strain energy. However, an increasing number of nitro groups also intensified electrostatic repulsion among oxygen lone pairs, which weakens structural integrity and renders the material more susceptible to disassembly under shock conditions. Conversely, structural symmetry—including both the cage-like molecular conformation and spatial packing within the crystal lattice—was found to mitigate these destabilizing effects, effectively balancing the trade-off between energy storage and structural stability. Based on these findings, we propose a physical model that captures the essential factors driving shock initiation in cage-like polynitrocubane HEDMs, offering new insights to inform the design and application of novel advanced HEDMs.

关键词： shock stability cage-like high-energy-density materials strain energy structural symmetry strain tensor

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Finite temperature physics of ID to pological Kondo insulator: Stable Haldane phase, emergent energy scale and beyond

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Frontiers of physics 2019年第2期14卷 73-81,F0004页

作者： Yin Zhong Qin Wang Yu Liu Hai-Feng Song Ke Liu Hong-Gang Luo Center for Interdisciplinary Studies & Key Laboratory for Magnetism and Magnetic Materials of the MoE Lanzhou UniversityLanzhou 730000China Institute of Applied Physics and Computational Mathematics Beijing 100088China Software Center for High Performance Numerical Simulation China Academy of Engineering PhysicsBeijing 100088China Arnold Sommerfeld Center for Theoretical Physics University of MunichTheresienstrasse 3780333 MunichGermany Beijing Computational Science Research Center Beijing 100084China

In recent years, mteracting topological insulators have emerged as new frontiers in condensed matter physics, and the hotly studied topological Kondo insulator (TKI) is one of such prototypes. Although its zero-temperature ground-state has been widely investigated, the finite temperature physics on TKI is largely unknown. Here, we explore the finite temperature properties in a simplified model for TKI. namely the one-dimensional p-wave periodic Anderson model, with numerically exact determinant quantum Monte Carlo simulation. It is found that the topological Haldane phase established for groimdstate is still stable against small thermal fluctuation and its characteristic edge magnetization develops at low temperature. Such facts emphasize the robustness of (symmetry-protected) topological order against temperature effect, which always exists at real physical world. Moreover, we use the saturated low-T spin structure factor and the 1/T-law of susceptibility to detect the free edge spin moment, interestingly the low-temperature upturn behaxior of the latter one is similar to experimental finding in SniBg at T < 50 K. It implies that similar physical mechanism may work both for idealized models and realistic correlated electron *** have also identified an emergent energy scale Tcr. which signals a crossover into interesting low-T regime and seems to be the expected Ruderman-Kittel- Kasuya Yosida coupling. Finally, the collective Kondo screening effect has been examined and it is heavily reduced at boundary which may give a fruitful playground for novel physics beyond the wellestablished Haldane phase and topological band insulators.

关键词： topological Kondo insulator heavy fermion quantum Monte Carlo Haldane phase

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Drought frequency, intensity, and exposure have increased due to historical land use and land cover changes

Communications Earth & Environment

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Communications Earth & Environment 2025年第1期6卷 1-13页

作者： Tao Tang Lin Wang Junji Cao Jun Ge Haiyun Shi Xuhui Lee State Key Laboratory of Earth System Numerical Modeling and Application Institute of Atmospheric Physics Chinese Academy of Sciences Beijing China Science Center for Earth System Numerical Simulation Institute of Atmospheric Physics Chinese Academy of Sciences Beijing China CAS Key Laboratory of Regional Climate-Environment for Temperate East Asia Institute of Atmospheric Physics Chinese Academy of Sciences Beijing China Joint International Research Laboratory of Atmospheric and Earth System Sciences School of Atmospheric Sciences Nanjing University Nanjing China School of Environmental Science and Engineering Southern University of Science and Technology Shenzhen China School of the Environment Yale University New Haven CT USA

Drought, a marked deficiency of surface water, has a wide adverse impact on the environment, agriculture, and the socio-economy. The global impact of land use changes on drought features and associated exposures to droughts, however, remains largely unknown. In this study, the changes of drought features are estimated by using the model simulations with and without land use change. We show that historical land use changes since 1850, mainly deforestation and crop expansion, has increased the drought frequency, duration, and severity over half of the global land area. Regions with greater activity tend to experience stronger exacerbation of drought events. Owing to their increasing frequency and prolonged duration, populations, croplands and forests are increasingly exposed to drought events, which poses serious potential impacts on human health, agriculture, and forest ecosystems. The enhanced drought events could be substantially alleviated by potential reforestation activity. Our results provide useful information for land-management-related policy-making.

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A localized meshless collocation method based on semi-analytical basis functions for bandgap calculation of elastic waves in phononic crystals

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PAMM 2021年第1期20卷

作者： Zhuo-Jia Fu Lufeng Li Yan Gu Institute of Continuum Mechanics Leibniz University Hannover Hannover 30167 Germany Center for Numerical Simulation Software in Engineering and Sciences College of Mechanics and Materials Hohai University Nanjing 211100 China Institute of Continuum Mechanics Leibniz University Hannover Hannover 30167 Germany Center for Numerical Simulation Software in Engineering and Sciences College of Mechanics and Materials Hohai University Nanjing 211100 China School of Mathematics and Statistics Qingdao University Qingdao 266071 China

This paper makes the first attempt to develop an efficient localized meshless collocation method (LMCM) based on the semi-analytical T-complete functions to calculate the bandgaps of elastic waves in solid phononic crystals. In comparison with the FEM (COMSOL software), the proposed LMCM can provide the similar accurate results with less computational resources for band structure calculation.

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A Privacy-Preserving Access Control Protocol for Consumer Flying Vehicles in Smart City Applications

SSRN

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SSRN 2022年

作者： Mahmood, Khalid Saleem, Muhammad Asad Shamshad, Salman Ghaffar, Zahid Akram, Muhammad Wahid Conti, Mauro Das, Ashok Kumar National Yunlin University of Science and Technology Yunlin Taiwan Department of Computer Science COMSATS University Islamabad Sahiwal Campus Pakistan Department of Software Engineering The University of Lahore Lahore54590 Pakistan Department of Computer Science Barani Institute of Sciences Sahiwal57000 Pakistan Department of Mathematics University of Padua Padua35131 Italy Center for Security Theory and Algorithmic Research International Institute of Information Technology Hyderabad500032 India Virginia Modeling Analysis and Simulation Center Old Dominion University SuffolkVA23435 United States

The Internet of Drones (IoD) offers supervised admittance to drones in a targeted fly zone as the byproduct of the Internet of Things (IoT). The term drone is the trendy alias for Intelligent Flying Vehicle (IFV). The contemporary sensing, processing, and connectivity services enriches the use of drones in a plethora of civilian and military applications. In these applications, consumers can acquire the real-time information directly from flying drones in a smart city environment. No doubt, this feature empowers the consumers, but it is deemed critical as direct access privilege can cause serious security threats. To prevent such threats, we propose an anonymous for consumer flying vehicles in smart city application. The proposed protocol utilizes a physically unclonable function to sustain the physical security of the flying vehicles. We ratify the security fortitude and persistence of our protocol through inclusive security analysis. Whereas, we demonstrate the performance evaluation under diverse performance metrics which shows that overall our devised protocol incurs 11 . 5771 ms to complete the authentication cycle. The careful performance comparison attests to the precedence of our protocol over peer protocols. © 2022, The Authors. All rights reserved.

关键词： Internet of things

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A semi-analytical collocation method for solving multi-term variable-order time fractional partial differential equations

arXiv

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arXiv 2020年

作者： Tian, Xia Reutskiy, S.Yu Fu, Zhuo-Jia Center for Numerical Simulation Software in Engineering & Sciences College of Mechanics and Materials Hohai University Nanjing Jiangsu210098 China Institute of Continuum Mechanics Leibniz University Hannover Hannover30167 Germany State Key Laboratory of Mechanics and Control of Mechanical Structures Nanjing University of Aeronautics & Astronautics Nanjing Jiangsu210016 China

This paper presents a novel semi-analytical collocation method to solve multi-term variable-order time fractional partial differential equations (VOTFPDEs). In the proposed method it employs the Fourier series expansion for spatial discretization, which transforms the original multi-term VOTFPDEs into a sequence of multi-term variable-order time fractional ordinary differential equations (VOTFODEs). Then these VOTFODEs can be solved by using the recent-developed backward substitution method. Several numerical examples verify the accuracy and efficiency of the proposed numerical approach in the solution of multi-term VOTFPDEs. Copyright © 2020, The Authors. All rights reserved.

关键词： Ordinary differential equations

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numerical simulation of Non-Linear Schrodinger Equations in Arbitrary Domain by the Localized Method of Approximate Particular Solution

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Advances in Applied Mathematics and Mechanics 2019年第1期11卷 108-131页

作者： Yongxing Hong Jun Lu Ji Lin Wen Chen State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering International Center for Simulation Software in Engineering and SciencesCollege of Mechanics and MaterialsHohai UniversityNanjing 211100China Nanjing Hydraulic Research Institute Hujuguan 34 RoadNanjing 210024China State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering Nanjing 210098China

The aim of this paper is to propose a fast meshless numerical scheme for the simulation of non-linear Schrodinger *** the proposed scheme,the implicit-Euler scheme is used for the temporal discretization and the localized method of approximate particular solution(LMAPS)is utilized for the spatial *** multiple-scale technique is introduced to obtain the shape parameters of the multiquadric radial basis function for 2D problems and the Gaussian radial basis function for 3D *** numerical examples are carried out to verify the accuracy and efficiency of the proposed *** with well-known techniques,numerical results illustrate that the proposed scheme is of merits being easy-to-program,high accuracy,and rapid convergence even for long-term *** results also indicate that the proposed scheme has great potential in large scale problems and real-world applications.

关键词： Schrodinger equation Localized method of approximate particular solution Shape parameters Multiple-scale technique

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High-throughput investigations of configurational-transformation-dominated serrations in CuZr/Cu nanolaminates

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Journal of Materials Science & Technology 2020年第18期52卷 192-199页

作者： William Yi Wang Bin Gana Deye Lin Jun Wang Yiguang Wang Bin Tang Hongchao Kou Shunli Shang Yi Wang Xingyu Gao Haifeng Song Xidong Hui Laszlo J.Kecskes Zhenhai Xia Karin A.Dahmen Peter K.Liaw Jinshan Lia Zi-Kui Liu State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi'an.710072China Beijing Key Laboratory of Advanced High Temperature Materials Central Iron and Steel Research InstituteBeijing100081China IMDEA Materials Institute Calle Eric Kandel 2GetafeMadrid28906Spain CAEP Software Center for High Performance Numerical Simulation Institute of Applied Physics and Computational MathematicsBeijing100088China Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA16802USA State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing100083China Hopkins Extreme Materials Institute Johns Hopkins UniversityBaltimoreMD21218USA Department of Physics University of Illinois at Urbana ChampaignUrbanaIL61801USA Department of Materials Science and Engineering The University of TennesseeKnoxvilleTN37996USA

Metallic amorphous/crystalline(A/C)nanolaminates exhibit excellent ductility while retaining their high ***,the underlying physical mechanisms and the resultant structural changes during plastic deformation still remain *** the present work,the structure-property relationship of CuZr/Cu A/C nanolaminates is established through integrated high-throughput micro-compression tests and molecular dynamics simulations together with high-resolution transmission electron *** serrated flow of nanolaminates results from the formation of hexagonal-close-packed(HCP)-type stacking faults and twins inside the face-centered-cubic(FCC)Cu nano-grains,the body-centered-cubic(BCC)-type ordering at their grain boundaries,and the crystallization of the amorphous CuZr *** serration behavior of CuZr/Cu A/C nanolaminates is determined by several factors,including the formation of dense dislocation networks from the multiplication of initial dislocations that formed after yielding,weak-spots-related configurational-transitions and shear-transition-zone activities,and deformation-induced *** present work provides an insight into the heterogeneous deformation mechanism of A/C nanolaminates at the atomic scale,and mechanistic base for the microstructural design of self-toughening metallic-glass(MG)-based composites and A/C nanolaminates.

关键词： Nanolaminates Serration Configurational transformation Molecular dynamics Metallic glass

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