检索结果-内蒙古大学图书馆

arXiv 2025年

作者： da Gomes, Djardiel S. Felix, Isaac M. Radel, Willian F. Dias, Alexandre C. Ribeiro Junior, Luiz A. Pereira Junior, Marcelo L. State University of Campinas Gleb Wataghin Institute of Physics Department of Applied Physics Campinas São Paulo13083-859 Brazil University of Brasília Faculty UnB Planaltina Materials Science Postgraduate Program Federal District Brasília Brazil Center for Agri-food Science and Technology Federal University of Campina Grande Paraíba Pombal58840-000 Brazil University of Brasília Institute of Physics Physics Postgraduate Program Federal District Brasília70910900 Brazil Institute of Physics International Center of Physics University of Brasília Federal District Brasília70910-900 Brazil Institute of Physics University of Brasília Federal District Brasília70910-900 Brazil Computational Materials Laboratory University of Brasília Federal District Brasília70910900 Brazil University of Brasília College of Technology Department of Electrical Engineering Federal District Brasília70910-900 Brazil

Recently synthesized Porous 12-Atom-Wide Armchair Graphene Nanoribbons (12-AGNRs) [Nano Lett. 2024, 24, 10718-10723]exhibit tunable properties through periodic porosity, enabling precise control over their electronic, optical, thermal, and mechanical behavior. This work presents a comprehensive theoretical characterization of pristine and porous 12-AGNRs based on density functional theory (DFT) and molecular dynamics (MD) simulations. DFT calculations reveal substantial electronic modifications, including band gap widening and the emergence of localized states. Analyzed within the Bethe–Salpeter equation (BSE) framework, optical properties highlight strong excitonic effects and significant absorption shifts. Thermal transport simulations indicate a pronounced reduction in conductivity due to enhanced phonon scattering at nanopores. At the same time, MD-based mechanical analysis shows decreased stiffness and strength while maintaining structural integrity. Despite these modifications, porous 12-AGNRs remain mechanically and thermally stable. These findings establish porosity engineering as a powerful strategy for tailoring graphene nanoribbons’ functional properties, reinforcing their potential for nanoelectronic, optoelectronic, and thermal management *** Codes 00-xx © 2025, CC BY.

关键词： Nanoribbons

来源：评论

学校读者我要写书评

暂无评论

Biomedical data and AI

引用

science China Life sciences 2025年第5期68卷 1536-1540页

作者： Hao Xu Shibo Zhou Zefeng Zhu Vincenzo Vitelli Liangyi Chen Ziwei Dai Ning Yang Luhua Lai Shengyong Yang Sergey Ovchinnikov Zhuoran Qiao Sirui Liu Chen Song Jianfeng Pei Han Wen Jianfeng Feng Yaoyao Zhang Zhengwei Xie Yang-Yu Liu Zhiyuan Li Fulai Jin Hao Li Mohammad Lotfollahi Xuegong Zhang Ge Yang Shihua Zhang Ge Gao Pulin Li Qi Liu Jing-Dong Jackie Han Peking-Tsinghua Center for Life Sciences (CLS) Academy for Advanced Interdisciplinary StudiesPeking University Center for Quantitative Biology (CQB) Academy for Advanced Interdisciplinary StudiesPeking University Peking University-Tsinghua University-National Institute of Biological Sciences Joint Graduate Program Academy for Advanced Interdisciplinary StudiesPeking University Department of Physics University of Chicago School of Life Sciences Southern University of Science and Technology Peking University Chengdu Academy for Advanced Interdisciplinary Biotechnologies College of Chemistry and Molecular Engineering Peking University Department of Biotherapy Cancer Center and State Key Laboratory of BiotherapyWest China HospitalSichuan University Department of Biology Massachusetts Institute of Technology Lambic Therapeutics Inc. Changping Laboratory Al for Science Institute Key Laboratory of Computational Neuroscience and Brain-Inspired Intelligence Fudan University Department of Obstetrics and Gynecology West China Second University HospitalSichuan University Peking University International Cancer Institute and Peking University-Yunnan Baiyao International Medical Institute and State Key Laboratory of Natural and Biomimetic Drugs Department of Molecular and Cellular PharmacologySchool of Pharmaceutical SciencesPeking University Health Science CenterPeking University Channing Division of Network Medicine Department of MedicineBrigham and Women's Hospital and Harvard Medical School Center for Artificial Intelligence and Modeling the Carl R.Woese Institute for Genomic BiologyUniversity of Illinois Urbana-Champaign Department of Genetics and Genome Sciences School of Medicine and Department of Computer and Data Sciences and Department of Population and Quantitative Health SciencesCase Western Reserve University Department of Biochemistry and Biophysics University of California Sanger Institute Department of Automation Tsinghua University State Key Laboratory of Multimodal Artificial Intelligence Systems I

The development of artificial intelligence(AI) and the mining of biomedical data complement each other. From the direct use of computer vision results to analyze medical images for disease screening, to now integrating biological knowledge into models and even accelerating the development of new AI based on biological discoveries, the boundaries of both are constantly expanding, and their connections are becoming closer.

关键词：

来源：评论

学校读者我要写书评

暂无评论

Semi-analytical finite element method applied for characterizing micropolar fibrous composites

引用

Applied Mathematics and Mechanics(English Edition) 2024年第12期45卷 2147-2164页

作者： J.A.OTERO Y.ESPINOSA-ALMEYDA R.RODRIGUEZ-RAMOS J.MERODIO School of Engineering and Sciences Monterrey Institute of TechnologyEstado de Mexico 52926Mexico Institute of Engineering and Technology Autonomous University of Ciudad JuarezCiudad JuarezChihuahua 32310Mexico Postgraduate Program in Computational Modeling in Science and Technology Federal Fluminense UniversityRıo de Janeiro 27255-125Brazil Faculty of Mathematics and Computer Science University of HavanaLa Habana 10400Cuba Department of Mathematics Applied to ICT School of Informatics Systems EngineeringTechnical University of MadridMadrid 28031Spain

A semi-analytical finite element method(SAFEM),based on the two-scale asymptotic homogenization method(AHM)and the finite element method(FEM),is implemented to obtain the effective properties of two-phase fiber-reinforced composites(FRCs).The fibers are periodically distributed and unidirectionally aligned in a homogeneous *** framework addresses the static linear elastic micropolar problem through partial differential equations,subject to boundary conditions and perfect interface contact *** mathematical formulation of the local problems and the effective coefficients are presented by the *** local problems obtained from the AHM are solved by the FEM,which is denoted as the *** numerical results are provided,and the accuracy of the solutions is analyzed,indicating that the formulas and results obtained with the SAFEM may serve as the reference points for validating the outcomes of experimental and numerical computations.

关键词： semi-analytical approach fiber-reinforced composite(FRC) effective property finite element method(FEM) asymptotic homogenization method(AHM) micropolar elasticity

来源：评论

学校读者我要写书评

暂无评论

Cahn-Hilliard Equation in Noise Reduction and Concentration-Dependent Heat Transfer

引用

Defect and Diffusion Forum 2024年 436卷 127-136页

作者： Bandeira, João Gabriel Piraine Kurz, Gustavo Braz Buske, Daniela de Quadros, Régis Sperotto Weymar, Guilherme Jahnecke Furtado, Igor da Cunha Control and Automation Engineering Federal University of Pelotas RS Brazil Postgraduate Program in Mathematical Modeling Federal University of Pelotas RS Brazil Sul-Rio-Grandense Federal Institute of Education Science and Technology RS Brazil

The Cahn-Hilliard equation, known for describing the evolution of interfaces in multicomponent systems, can also be employed to noise reduction in mathematical functions and concentration-dependent heat transfer simulations. This work presents a finite difference method discretization of the Cahn-Hilliard equation and explores its applications. For noise reduction, three different noisy functions are simulated, demonstrating effective recovery of original functions despite significant noise levels. In heat transfer simulations, three initial temperature distributions are explored with concentration-dependent thermal diffusivity. Results show that concentration significantly affects thermal diffusivity and heat propagation, leading to non-uniform temperature distributions. Comparative simulations without concentration influence highlight the distinct impact of concentration on thermal behavior. The study underscores a reliable approach to noise reduction and insight into concentration-dependent heat transfer dynamics. © 2024 Trans Tech Publications Ltd, All Rights Reserved.

关键词： Noise abatement

来源：评论

学校读者我要写书评

暂无评论

Applying computational Intelligence to Improve Judiciary Efficiency 5

Applying Computational Intelligence to Improve Judiciary Eff...

引用

5th International Conference on Transdisciplinary AI, TransAI 2023

作者： Ferrari Faccioni, Marcelo Augusto Da Silva Lisboa, Marcelo Rocha, Marcelo Lisboa Prata, David Nadler Barbosa, Gentil Veloso 1st Special Court of the District of Palmas Court of Justice of Tocantins TO Palmas Brazil Information Technology Department Secretary of Administration of Tocantins TO Palmas Brazil Federal University of Tocantins Postgraduate Program in Computational Systems Modeling TO Palmas Brazil Federal University of Tocantins Program in Computational Systems Modeling TO Palmas Brazil

ISBN: (纸本)9798350358018

The present work aims to demonstrate that the use of computational intelligence in judicial provision can bring speed and legal certainty to judicial decisions. The possibility of using a technological tool based on processing in natural language and textual classification will be created and then evaluated for the simultaneous application of judicial precedents. With this, it will be sought to prove that the judicial decision can be rendered more quickly. Through the use of computational intelligence, we carried out the reading of the initial petition of processes distributed with the Special Courts of the District of Palmas-Toin Brazil in the years 2019 to 2022, focusing in the binding precedents edited by the STF and ST J. We seek the possible incidence and application of the binding precedent in the specific case and thus demonstrate that the judge could know, right after the filing of the action, that the object of the inaugural claim already had a manifestation of the STF or STJ and therefore it would be up to the judgment of injunction, and thus prove the possibility of obtaining speed and legal certainty in the jurisdictional provision with the combined use of technology with binding precedents. © 2023 IEEE.

关键词： Artificial intelligence

来源：评论

学校读者我要写书评

暂无评论

A node placement optimization method for watershed underwater sensor networks 9

A node placement optimization method for watershed underwate...

引用

9th ACM International Conference on Underwater Networks and Systems, WUWNet 2014

作者： Barbosa, Gentil V. Letouze, Patrick Xavier, Adilson E. Department of Computer Science UFT - Universidade Federal do Tocantins PESC Brazil Department of Computer Science UFT - Universidade Federal do Tocantins MCS - Postgraduate Program of System's Computational Modeling Brazil PESC - Postgraduate Program of System's Engineering and Computation UFRJ - Universidade Federal do Rio de Janeiro Brazil

ISBN: (纸本)9781450332774

Given a set of underwater sensors coordinates that are usually determined by a specialist for the design of a watershed monitoring system, where should be placed the sinks and the base station? The answer may be the minimization of the Variable Internode Distance. In such cases, a two dimensional architecture is acceptable because it is a shallow water system. Hence, in this paper, it is proposed a two-level node distance minimization for Underwater Wireless Sensor Network for monitoring systems. The mathematical method employed for optimization is the Hyperbolic Smoothing approach and the proposed method includes the placement of the base-station in the algorithm. Copyright 2014 ACM.

关键词： Base stations

来源：评论

学校读者我要写书评

暂无评论

An Evolutionary Analytic Center Classifier 9th

An Evolutionary Analytic Center Classifier

引用

9th Brazilian Conference on Intelligent Systems, BRACIS 2020

作者： Goulart, Renan Motta Villela, Saulo Moraes Borges, Carlos Cristiano Hasenclever Neto, Raul Fonseca Postgraduate Program in Computational Modeling Federal University of Juiz de Fora Juiz de ForaMinas Gerais Brazil Department of Computer Science Federal University of Juiz de Fora Juiz de ForaMinas Gerais Brazil

ISBN: (纸本)9783030613761

Classification is an essential task in the field of Machine Learning, where developing a classifier that minimizes errors on unknown data is one of its central problems. It is known that the analytic center is a good approximation of the center of mass of the version space that is consistent with the Bayes-optimal decision surface. Therefore, in this work, we propose an evolutionary algorithm, relying on the convexity properties of the version space, that evolves a population of perceptron classifiers in order to find a solution that approximates its analytic center. Hyperspherical coordinates are used to guarantee feasibility when generating new individuals and enabling exploration to be uniformly distributed through the search space. To evaluate the individuals we consider using a potential function that employs a logarithmic barrier penalty. Experiments were performed on real datasets, and the obtained results indicate concrete possibilities for applying the proposed algorithm for solving practical problems. © 2020, Springer Nature Switzerland AG.

关键词： Machine learning

来源：评论

学校读者我要写书评

暂无评论

computational fluid dynamics applied to the study of falling liquid films in a wave film generation facility 6

Computational fluid dynamics applied to the study of falling...

引用

6th ECCOMAS European Conference on computational Mechanics: Solids, Structures and Coupled Problems, ECCM 2018 and 7th ECCOMAS European Conference on computational Fluid Dynamics, ECFD 2018

作者： Iglesias, Susana M. Dominguez, Dany S. Escrivá, Alberto Muñoz-Cobo, José L. Berna, César Cuadros, José L. Rivera, Yago Universidade Estadual de Santa Cruz Postgraduate Program of Computational Modeling in Science and Technology Rodovia Jorge Amado km 16 Salobrinho Ilhéus BA45662-900 Brazil Universitat Politècnica de València Institute for Energy Engineering Camino de Vera 14 Valencia46022 Spain

ISBN: (纸本)9788494731167

Two phase gas-liquid flow appears in several engineering applications, such as boiling nuclear reactors, oil and gas industry, chemical plants, among others. For this phenomenon's study the experimental facility Wave Film Generator (GEPELON, Generador de Película Ondulatoria) was constructed. It uses conductivity sensors for the multi-phase flow analysis in vertical pipes. In this work, we propose the use of computational Fluid Dynamics for modelling the falling liquid films regime in this facility. Specifically, this air-water flow regime consists of a water film that falls down the pipe wall and a central region with stagnant air. We build up a simplified installation's geometrical model, considering a mass flow boundary condition in the inlet and constant pressure in the outlet. To capture the water-air interface a non-uniform structured mesh with fine elements close to the wall was constructed. Using a Volume of Fluid (VOF) model and the FLUENT solver, we simulate different flow rates and from the water volumetric fraction we estimate the film thickness in all the domain. The simulations are stationary and due to the hydrodynamic complexity, a pseudo-transient approach was used to stabilize the iterative process. The simulation values were compared with the experimental results obtained in the GEPELON facility. A mesh independence analysis was performed and several mass flows were simulated, showed good agreement with the experimental values for lower flows and reasonable for higher flows. copyright © Crown copyright (2018).All right reserved.

关键词： computational fluid dynamics

来源：评论

学校读者我要写书评

暂无评论

The Importance of Systematic Review as a Scientific Research Method for Computer science: A Quantitative Systematic Review

The Importance of Systematic Review as a Scientific Research...

引用

2014 International Conference on Society,Education and Psychology(ICSEP 2015)

作者： Valéria M.Silva José I.M.Souza Júnior David N.Prata Patrick Letouze Department of Computer Science UFT-Universidade Federal do Tocantins Palmas Brazil Postgraduate Program of Systems’ Computational Modeling-UFT

The importance of Systematic Review to Computer science research as a scientific method has to be assessed, because interdisciplinary and Internet scientific research are demanding it. Hence, this work is a quantitative systematic review of Systematic Reviews in the domain of Computer science. Scientific Journal papers have been extracted from a number of representative databases between the years 2006 and 2012. From an initial amount of 3,097 papers, only 138 were selected resulting in a survival rate of 4.46%.

关键词： Computer science Research,Computer science Teaching,Research Education,Scientific Methodology,Systematic Review

来源：评论

学校读者我要写书评

暂无评论

Antimalarial artemisinins derivatives study: Molecular modeling and multivariate analysis (PCA, HCA, KNN, SIMCA and SDA)

引用

Journal of computational and Theoretical Nanoscience 2015年第10期12卷 3443-3458页

作者： Macdo, Williams Jorge C. Braga, Francinaldo Sarges Santos, César Freitas Da Silva Costa, Josivan De Melo, Geraldo Souza De Mello, Marcello Neiva Sousa, Daniele Salgado Carvalho, José Carlos T. Do Socorro Barros Brasil, Davi Dos Santos, Cleydson Breno R. Laboratory of Molecular Modeling and Simulation System Federal Rural University of Amaznia Campus Capanema-Centro Rua João Pessoa 121 Capanema Pará Brazil Laboratory of Modeling and Computational Chemistry Federal University of Amapá Macapá Amapá Brazil Postgraduate Program in Pharmaceutical Sciences Federal University of Amapá Macapá Amapá Brazil Laboratory of Drug Research School of Pharmaceutical Sciences Federal University of Amapá Macapá Amapá Brazil Institute of Technology Federal University of Pará Belém-Pará-Amazon Brazil

A set of 20 artemisinins compounds with antimalarial activity against clone D-6 strains of Plasmodium falciparum, mefloquine resistant but chloroquine sensitive, were studied through quantum chemistry and multivariate analysis. The geometry optimization of structures was done with the Hartree-Fock (HF) theory and 6-31G∗basis set. Maps of molecular electrostatic potential (MEP) and molecular docking were used to investigate interaction between ligands and receptor (heme). The chemometrics methods employed was Principal Component Analysis (PCA), Hierarquical Cluster Analysis (HCA), K-Nearest Neighbor (KNN), Soft Independent modeling of Class Analogy (SIMCA) and Stepwise Discriminant Analisis (SDA) were employed to select most important descriptors, related to obtain possible relationships for two compounds classes with activity antimalarial. A predictive model was done with a set of 20 compounds artemisinin derivatives with known activity experimental by PCA, HCA, KNN, SIMCA and SDA classification methods. Four descriptors were responsible for separation between origin two class inactives and actives compounds: HOMO (highest occupied molecular orbital), QC3 (charge on atom carbon 3), logP (logarithm of the partition coefficient) and HATS7v (leverage-weighted autocorrelation of lag7/weighted by atomic Van der Waals Volume). The model proposed may follow the results of the MEP maps and docking molecular. Copyright © 2015 American Scientific Publishers.

关键词： Principal component analysis

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：