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Transforming Education with Photogrammetry:Creating Realistic 3D Objects for Augmented Reality applications

Computer Modeling in Engineering & Sciences 2025年第1期142卷 185-208页

作者： Kaviyaraj Ravichandran Uma Mohan Department of computational Intelligence School of ComputingSRM Institute of Science and TechnologyKattankulathur603203India

Augmented reality(AR)is an emerging dynamic technology that effectively supports education across different *** increased use of mobile devices has an even greater *** the demand for AR applications in education continues to increase,educators actively seek innovative and immersive methods to engage students in ***,exploring these possibilities also entails identifying and overcoming existing barriers to optimal educational ***,this surge in demand has prompted the identification of specific barriers,one of which is three-dimensional(3D)*** 3D objects for augmented reality education applications can be challenging and time-consuming for the *** address this,we have developed a pipeline that creates realistic 3D objects from the two-dimensional(2D)*** for augmented and virtual reality can then utilize these created 3D *** evaluated the proposed pipeline based on the usability of the 3D object and performance ***,with 117 respondents,the co-creation team was surveyed with openended questions to evaluate the precision of the 3D object created by the proposed photogrammetry *** analyzed the survey data using descriptive-analytical methods and found that the proposed pipeline produces 3D models that are positively accurate when compared to real-world objects,with an average mean score above *** study adds new knowledge in creating 3D objects for augmented reality applications by using the photogrammetry technique;finally,it discusses potential problems and future research directions for 3D objects in the education sector.

关键词： Augmented reality education immersive learning 3D object creation photogrammetry and StructureFromMotion

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Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

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Chinese Physics B 2016年第1期25卷 412-418页

作者： H D Aristizabal P A Parra P Lopez E Restrepo-Parra pcm computational applications Universidad Nacional de Colombia-Sede ManizalesA.A.127ManizalesColombi Universidad Cató1ica de Manizales A.A.357ManizalesColombia

This work has two main purposes：（i） introducing the basic concepts of molecular dynamics analysis to material scientists and engineers, and （ii） providing a better understanding of instrumented indentation measurements, presenting an example of nanoindentation and scratch test simulations. To reach these purposes, three-dimensional molecular dynamics （MD） simulations of nanoindentation and scratch test technique were carried out for generic thin films that present BCC crystalline structures. Structures were oriented in the plane （100） and placed on FCC diamond substrates. A pair wise potential was employed to simulate the interaction between atoms of each layer and a repulsive radial potential was used to represent a spherical tip indenting the sample. Mechanical properties of this generic material were obtained by varying the indentation depth and dissociation energy. The load-unload curves and coefficient of friction were found for each test; on the other hand, dissociation energy was varied showing a better mechanical response for films that present grater dissociation energy. Structural change evolution was observed presenting vacancies and slips as the depth was varied.

关键词： molecular dynamics pair wise potential repulsive radial potential dissociation energy

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Ultra‑Transparent and Multifunctional IZVO Mesh Electrodes for Next‑Generation Flexible Optoelectronics

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Nano-Micro Letters 2025年第1期17卷 293-309页

作者： Kiran A.Nirmal Tukaram D.Dongale Atul C.Khot Chenjie Yao Nahyun Kim Tae Geun Kim School of Electrical Engineering Korea UniversityAnam‑ro 145Seongbuk‑guSeoulRepublic of Korea computational Electronics and Nanoscience Research Laboratory School of Nanoscience and BiotechnologyShivaji UniversityKolhapur 416004India

Mechanically durable transparent electrodes are essential for achieving long-term stability in flexible optoelectronic ***,they are crucial for applications in the fields of energy,display,healthcare,and soft *** meshes represent a promising alternative to traditional,brittle,metal oxide conductors due to their high electrical conductivity,optical transparency,and enhanced mechanical *** this paper,we present a simple method for fabricating an ultra-transparent conducting metal oxide mesh electrode using selfcracking-assisted *** this method,we produced an electrode with ultra-transparency(97.39%),high conductance(Rs=21.24Ωsq^(−1)),elevated work function(5.16 eV),and good mechanical *** also evaluated the effectiveness of the fabricated electrodes by integrating them into organic photovoltaics,organic light-emitting diodes,and flexible transparent memristor devices for neuromorphic computing,resulting in exceptional device *** addition,the unique porous structure of the vanadium-doped indium zinc oxide mesh electrodes provided excellent flexibility,rendering them a promising option for application in flexible optoelectronics.

关键词： Self-cracking template Vanadium-doped indium zinc oxide mesh Organic solar cells Organic light-emitting diodes Flexible transparent memory

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Deciphering fungal metabolon coupling tandem inverse-electrondemand Diels-Alder reaction and semipinacol rearrangement for the biosynthesis of spiro polycyclic alkaloids

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Science China Chemistry 2025年第1期68卷 288-296页

作者： Shuai Liu Wen-Qiang Xu Ying-Tong Di Man-Cheng Tang Ding-Kang Chen Ming-Ming Cao Yao-Wen Chang Hong-Yu Tang Chun-Mao Yuan Jun-Bo Yang Zhi-Li Zuo Han Guo Zi-Fei Xu Ying Zeng Yun-Dong Wu Xiao-Jiang Hao Key Laboratory of Phytochemistry and Natural Medicines (Chinese Academy of Sciences) Kunming Institute of Botany Chinese Academy of Sciences University of Chinese Academy of Sciences Lab of computational Chemistry and Drug Design State Key Laboratory of Chemical Oncogenomics Peking University Shenzhen Graduate School Shenzhen Bay Laboratory State Key Laboratory of Microbial Metabolism School of Life Sciences & Biotechnology Shanghai Jiao Tong University State Key Laboratory of Functions and applications of Medicinal Plants Guizhou Medical University Molecular Biology Experimental Center Germplasm Bank of Wild Species in Southwest China Kunming Institute of Botany Chinese Academy of Sciences Yunnan Key Laboratory for Wild Plant Resources Kunming Institute of Botany Chinese Academy of Sciences Research Unit of Chemical Biology of Natural Anti-Virus Products Chinese Academy of Medical Sciences

In the intricate process of natural product biosynthesis, a metabolon can enhance metabolic flux by associating sequential enzymes. A fungal metabolon, comprising of flavin-dependent monooxygenase Spe F and P450 monooxygenase Spe G, is identified in the biosynthesis of spiro polycyclic alkaloids(+)-notoamide B and its diastereomer(+)-versicolamide B. Using notoamide E as a substance, Spe F/Spe G metabolon can control the stereoselectivity of its 2,3-epoxidation, followed by hydrogen atom ion at C-17 to generate reactive epoxide tau-m A with dienyl iminium unit. Subsequently,(+)-notoamide B and(+)-versicolamide B are produced via tandem nonenzymatic inverse-electron-demand Diels-Alder reaction and semipinacol rearrangement. This provides the first example of metabolon in the biosynthesis of spiro-prenylated indole alkaloids.

关键词： metabolon Diels-Alder reaction semipinacol rearrangement biosynthesis notoamides spiro polycyclic alkaloids

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ReaxFF molecular dynamics study on oxidation behavior of 3C-SiC:Polar face effects

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Chinese Physics B 2015年第9期24卷 381-386页

作者：孙瑜刘轶军徐绯 Institute for computational Mechanics and Its applications Northwestern Polytechnical University Mechanical Engineering University of Cincinnati

The oxidation of nanoscale 3C-SiC involving four polar faces（C（100）, Si（100）, C（111）, and Si（111）） is studied by means of a reactive force field molecular dynamics（Reax FF MD） simulation. It is shown that the consistency of 3C-SiC structure is broken over 2000 K and the low-density carbon chains are formed within SiC slab. By analyzing the oxygen concentration and fitting to rate theory, activation barriers for C（100）, Si（100）, C（111）, and Si（111） are found to be 30.1,35.6, 29.9, and 33.4 k J·mol^-1. These results reflect lower oxidative stability of C-terminated face, especially along [111] direction. Compared with hexagonal polytypes of SiC, cubic phase may be more energy-favorable to be oxidized under high temperature, indicating polytype effect on SiC oxidation behavior.

关键词： molecular dynamics Reax FF field 3C-SiC oxidation

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Toward understanding the role of genomic repeat elements in neurodegenerative diseases

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Neural Regeneration Research 2025年第3期20卷 646-659页

作者： Zhengyu An Aidi Jiang Jingqi Chen Institute of Science and Technology for Brain-Inspired Intelligence Fudan UniversityShanghaiChina MOE Frontiers Center for Brain Science Fudan UniversityShanghaiChina MOE Key Laboratory of computational Neuroscience and Brain-Inspired Intelligence Fudan UniversityShanghaiChina Zhangjiang Fudan International Innovation Center ShanghaiChina

Neurodegenerative diseases cause great medical and economic burdens for both patients and society;however, the complex molecular mechanisms thereof are not yet well understood. With the development of high-coverage sequencing technology, researchers have started to notice that genomic repeat regions, previously neglected in search of disease culprits, are active contributors to multiple neurodegenerative diseases. In this review, we describe the association between repeat element variants and multiple degenerative diseases through genome-wide association studies and targeted sequencing. We discuss the identification of disease-relevant repeat element variants, further powered by the advancement of long-read sequencing technologies and their related tools, and summarize recent findings in the molecular mechanisms of repeat element variants in brain degeneration, such as those causing transcriptional silencing or RNA-mediated gain of toxic function. Furthermore, we describe how in silico predictions using innovative computational models, such as deep learning language models, could enhance and accelerate our understanding of the functional impact of repeat element variants. Finally, we discuss future directions to advance current findings for a better understanding of neurodegenerative diseases and the clinical applications of genomic repeat elements.

关键词： Alzheimer's disease ataxia deep learning long-read sequencing neurodegeneration neurodegenerative diseases Parkinson's disease repeat element structural variant

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On Robustness of Orbit Spaces for Partially Hyperbolic Endomorphisms

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Chinese Annals of Mathematics,Series B 2016年第6期37卷 899-914页

作者： Lin WANG College of Mathematics and Information Science Hebei Key Laboratory of Computational Mathematics and ApplicationsHebei Normal University

In this paper, the robustness of the orbit structure is investigated for a partially hyperbolic endomorphism f on a compact manifold M. It is first proved that the dynamical structure of its orbit space （the inverse limit space） M^f of f is topologically quasi-stable under C^0-small perturbations in the following sense： For any covering endomorphism g C^0-close to f, there is a continuous map φ from M^9 to Π-∞^∞ M such that for any {yi}i∈z∈φ（M^9）, yi＋1 and f（yi） differ only by a motion along the center direction. It is then proved that f has quasi-shadowing property in the following sense： For any pseudo-orbit {xi}i∈z, there is a sequence of points {yi}i∈z tracing it, in which yi＋1 is obtained from f（yi） by a motion along the center direction.

关键词： Partially hyperbolic endomorphism Orbit space Quasi-stability Quasi-shadowing

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Hysteresis loop behaviors of ferroelectric thin films: A Monte Carlo simulation study

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Chinese Physics B 2015年第11期24卷 492-496页

作者： C.M.Bedoya-Hincapié H.H.Ortiz-varez E.Restrepo-Parra J.J.Olaya-Flrez J.E.Alfonso pcm computational applications Universidad Nacional de Colombia Univesidad Santo Tomás Universidad de Caldas AFIS Análisis de Fallas Integridad y Superficies Universidad Nacional de Colombia Grupo de Ciencia de Materialesy superficies Departamento de Física Universidad Nacional de Colombia

The ferroelectric response of bismuth titanate Bi4Ti3O12 （BIT） thin film is studied through a Monte Carlo simulation of hysteresis loops. The ferroelectric system is described by using a Diffour Hamiltonian with three terms： the electric field applied in the z direction, the nearest dipole-dipole interaction in the transversal （x-y） direction, and the nearest dipole-dipole interaction in the direction perpendicular to the thin film （the z axis）. In the sample construction, we take into consideration the dipole orientations of the monoclinic and orthorhombic structures that can appear in BIT at low temperature in the ferroelectric state. The effects of temperature, stress, and the concentration of pinned dipole defects are assessed by using the hysteresis loops. The results indicate the changes in the hysteresis area with temperature and stress, and the asymmetric hysteresis loops exhibit evidence of the imprint failure mechanism with the emergence of pinned dipolar defects. The simulated shift in the hysteresis loops conforms to the experimental ferroelectric response.

关键词： ferroelectrics bismuth titanate hysteresis loop dipolar defects

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Diference Systems of Sets Based on Cosets Partitions

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Acta Mathematica Sinica,English Series 2013年第12期29卷 2261-2272页

作者： Geng Sheng ZHANG Hong Rui WANG College of Mathematics and Information Science Hebei Normal University Hebei Key Laboratory of computational Mathematics and applications

Difference systems of sets （DSS） are combinatorial configurations that arise in connection with code synchronization. This paper proposes a new method to construct DSSs, which uses known DSSs to partition some of the cosets of Zv relative to subgroup of order k, where v = km is a composite number. As applications, we obtain some new optimal DSSs.

关键词： Difference systems of sets code synchronization difference set coset optimal

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Big picture of relativistic molecular quantum mechanics

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National Science Review 2016年第2期3卷 204-221页

作者： Wenjian Liu Beijing National Laboratory for Molecular Sciences Institute of Theoretical and Computational ChemistryState Key Laboratory of Rare Earth Materials Chemistry and ApplicationsCollege of Chemistry and Molecular Engineeringand Center for Computational Science and EngineeringPeking University

Any quantum mechanical calculation on electronic structure ought to choose first an appropriate Hamiltonian H and then an Ansatz for parameterizing the wave function Ψ,from which the desired energy/property E(X) can finally be ***,the very first question is:what is the most accurate many-electron Hamiltonian H? It is shown that such a Hamiltonian *** quantum electrodynamics(eQED) Hamiltonian,can be obtained naturally by incorporating properly the charge conjugation symmetry when normal ordering the second quantized fermion *** this eQED Hamiltonian as the basis,various approximate relativistic many-electron Hamiltonians can be obtained based entirely on physical *** these Hamiltonians together form a complete and continuous’ Hamiltonian ladder’,from which one can pick up the right one according to the target physics and *** for the many-electron wave function Ψ,the most intriguing questions are as follows,(i) How to do relativistic explicit correlation?(ⅱ) How to handle strong correlation? Both general principles and practical strategies are outlined here to handle these *** the electronic properties E(λ) that sample the electronic wave function nearby the nuclear region,nuclear magnetic resonance(NMR)shielding and nuclear spin-rotation(NSR) coupling constant are especially challenging:they require body-fixed molecular Hamiltonians that treat both the electrons and nuclei as relativistic quantum ***,they have been formulated *** particular,a very robust ’relativistic mapping’between the two properties has been established,which can translate experimentally measured NSR coupling constants to very accurate absolute NMR shielding scales that otherwise cannot be obtained *** the most general and fundamental issues pertinent to all the three components of the quantum mechanical equation HΨ = EΨ(*** H,wave function Ψ,and energy/property E(λ)) have f

关键词： relativistic quantum mechanics quantum electrodynamics relativistic Hamiltonian electron correlation magnetic property

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