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  • Open Access

    REVIEW

    First Principles Calculations for Corrosion in Mg-Li-Al Alloys with Focus on Corrosion Resistance: A Comprehensive Review

    Muhammad Abdullah Khan1, Muhammad Usman2, Yuhong Zhao1,3,4,*

    CMC-Computers, Materials & Continua, Vol.81, No.2, pp. 1905-1952, 2024, DOI:10.32604/cmc.2024.054691 - 18 November 2024

    Abstract This comprehensive review examines the structural, mechanical, electronic, and thermodynamic properties of Mg-Li-Al alloys, focusing on their corrosion resistance and mechanical performance enhancement. Utilizing first-principles calculations based on Density Functional Theory (DFT) and the quasi-harmonic approximation (QHA), the combined properties of the Mg-Li-Al phase are explored, revealing superior incompressibility, shear resistance, and stiffness compared to individual elements. The review highlights the brittleness of the alloy, supported by B/G ratios, Cauchy pressures, and Poisson’s ratios. Electronic structure analysis shows metallic behavior with varied covalent bonding characteristics, while Mulliken population analysis emphasizes significant electron transfer within the… More >

  • Open Access

    EDITORIAL

    Introduction to the Special Issue on Computational Intelligent Systems for Solving Complex Engineering Problems: Principles and Applications

    Danial Jahed Armaghani1,*, Ahmed Salih Mohammed2,3, Ramesh Murlidhar Bhatawdekar4, Pouyan Fakharian5, Ashutosh Kainthola6, Wael Imad Mahmood7

    CMES-Computer Modeling in Engineering & Sciences, Vol.138, No.3, pp. 2023-2027, 2024, DOI:10.32604/cmes.2023.031701 - 15 December 2023

    Abstract This article has no abstract. More >

  • Open Access

    REVIEW

    A Review of Research on Galvanic Corrosion of Aluminum Alloys

    Huixin Zhu, Mingzhe Leng*, Guofeng Jin*, Heyang Miao

    FDMP-Fluid Dynamics & Materials Processing, Vol.19, No.7, pp. 1907-1923, 2023, DOI:10.32604/fdmp.2023.025416 - 08 March 2023

    Abstract When aluminum alloys are coupled with dissimilar materials, they often act as corrosion anodes and are suscepted to accelerated corrosion. Therefore, deepening our knowledge of such corrosion phenomena, related mechanisms, and elaborating new prediction model is of great theoretical and practical significance. In this paper, such mechanisms are explained from both macroscopic and microscopic points of view by considering several aspects such as the second phase particle type, grain size, and environmental ions. More specifically, different perspectives on such a problem are elaborated, which take into account: the properties of the coupling pair materials, geometrical… More >

  • Open Access

    ARTICLE

    Passivation of PEA+ to CsPbI3 (110) Surface States: From the First Principles Calculations

    Wei Hu1,2, Fengjuan Si3, Hongtao Xue1, Wensheng Li1, Jun Hu4, Fuling Tang1,*

    Journal of Renewable Materials, Vol.11, No.3, pp. 1293-1301, 2023, DOI:10.32604/jrm.2022.023095 - 31 October 2022

    Abstract This work investigates the effect of passivation on the electronic properties of inorganic perovskite CsPbI3 materials by using first-principles calculations with density functional theory (DFT). The passivation effect after the addition of Phenylethylamine (PEA+ ) molecule to CsPbI3 (110) surface is studied. The results of density of states (DOS) calculations show that the CsPbI3 (110) surface model with I atom terminated reveals new electronic DOS peaks (surface states) near the Fermi level. These surface states are mainly due to the contribution of I-5p orbital and are harmful to the CsPbI3-based solar cells because they reduce the photoelectric conversion More > Graphic Abstract

    Passivation of PEA<sup>+</sup> to CsPbI<sub>3</sub> (110) Surface States: From the First Principles Calculations

  • Open Access

    ARTICLE

    Research on Infrared Emissivity and Laser Reflectivity of Sn1−xErxO2 Micro/Nanofibers Based on First-Principles

    Yuanjia Xia, Fang Zhao*, Zhizun Li, Zhaogang Cheng, Jianwei Hu

    Journal of Renewable Materials, Vol.11, No.2, pp. 921-936, 2023, DOI:10.32604/jrm.2022.022840 - 22 September 2022

    Abstract Sn1−xErxO2 (x = 0%, 8%, 16%, 24%) micro/nanofibers were prepared by electrospinning combined with heat treatment using erbium nitrate, stannous chloride and polyvinylpyrrolidone (PVP) as raw materials. The target products were characterized by thermogravimetric analyzer, X-ray diffrotometer, fourier transform infrared spectrometer, scanning electron microscope, spectrophotometer and infrared emissivity tester, and the effects of Er3+ doping on its infrared and laser emissivity were studied. At the same time, the Sn1−xErxO2 (x = 0%, 16%) doping models were constructed based on the first principles of density functional theory, and the related optoelectronic properties such as their energy band structure,… More >

  • Open Access

    EDITORIAL

    INTRODUCTION

    Plumejeaud-Perreau, C, Gravier, J, Masson, E, Nahassia, L, Rodier, X, Saux, E, Fargette, M, Libourel, T, Mathian, H, Nuninger, L, Sanders, L

    Revue Internationale de Géomatique, Vol.31, No.1, pp. 7-19, 2022, DOI:10.3166/rig31.7-19

    Abstract This article has no abstract. More >

  • Open Access

    ARTICLE

    Design Principles-Based Interactive Learning Tool for Solving Nonlinear Equations

    Ahad Alloqmani1, Omimah Alsaedi1, Nadia Bahatheg1, Reem Alnanih1,*, Lamiaa Elrefaei1,2

    Computer Systems Science and Engineering, Vol.40, No.3, pp. 1023-1042, 2022, DOI:10.32604/csse.2022.019704 - 24 September 2021

    Abstract Interactive learning tools can facilitate the learning process and increase student engagement, especially tools such as computer programs that are designed for human-computer interaction. Thus, this paper aims to help students learn five different methods for solving nonlinear equations using an interactive learning tool designed with common principles such as feedback, visibility, affordance, consistency, and constraints. It also compares these methods by the number of iterations and time required to display the result. This study helps students learn these methods using interactive learning tools instead of relying on traditional teaching methods. The tool is implemented More >

  • Open Access

    ARTICLE

    Mining Syndrome Differentiating Principles from Traditional Chinese Medicine Clinical Data

    Jialin Ma1,*, Zhaojun Wang2, Hai Guo3, Qian Xie1,4, Tao Wang4, Bolun Chen5

    Computer Systems Science and Engineering, Vol.40, No.3, pp. 979-993, 2022, DOI:10.32604/csse.2022.016759 - 24 September 2021

    Abstract Syndrome differentiation-based treatment is one of the key characteristics of Traditional Chinese Medicine (TCM). The process of syndrome differentiation is difficult and challenging due to its complexity, diversity and vagueness. Analyzing syndrome principles from historical records of TCM using data mining (DM) technology has been of high interest in recent years. Nevertheless, in most relevant studies, existing DM algorithms have been simply developed for TCM mining, while the combination of TCM theories or its characteristics with DM algorithms has rarely been reported. This paper presents a novel Symptom-Syndrome Topic Model (SSTM), which is a supervised probabilistic More >

  • Open Access

    ARTICLE

    An Architecture Supporting Intelligent Mobile Healthcare Using Human-Computer Interaction HCI Principles

    Mesfer Alrizq1, Shauban Ali Solangi2, Abdullah Alghamdi1,*, Muhammad Ali Nizamani2, Muhammad Ali Memon2, Mohammed Hamdi1

    Computer Systems Science and Engineering, Vol.40, No.2, pp. 557-569, 2022, DOI:10.32604/csse.2022.018800 - 09 September 2021

    Abstract Recent advancements in the Internet of Things IoT and cloud computing have paved the way for mobile Healthcare (mHealthcare) services. A patient within the hospital is monitored by several devices. Moreover, upon leaving the hospital, the patient can be remotely monitored whether directly using body wearable sensors or using a smartphone equipped with sensors to monitor different user-health parameters. This raises potential challenges for intelligent monitoring of patient’s health. In this paper, an improved architecture for smart mHealthcare is proposed that is supported by HCI design principles. The HCI also provides the support for the… More >

  • Open Access

    ARTICLE

    Using Image Processing Technology and General Fluid Mechanics Principles to Model Smoke Diffusion in Forest Fires

    Liying Zhu*, Ang Wang, Fang Jin

    FDMP-Fluid Dynamics & Materials Processing, Vol.17, No.6, pp. 1213-1222, 2021, DOI:10.32604/fdmp.2021.017572 - 08 September 2021

    Abstract In the present study, the laws of smoke diffusion during forest fires are determined using the general principles of fluid mechanics and dedicated data obtained experimentally using an “ad hoc” imaging technology. Experimental images mimicking smoke in a real scenario are used to extract some “statistics”. These in turn are used to obtain the “divergence” of the flow (this fluid-dynamic parameter describing the amount of air that converges to a certain place from the surroundings or vice versa). The results show that the divergence of the smoke depends on the outside airflow and finally tends to More >

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