Ivan Lobzenko^1,*, Tomohito Tsuru¹, Yoshinori Shiihara², Takuya Iwashita³

The International Conference on Computational & Experimental Engineering and Sciences, Vol.32, No.2, pp. 1-1, 2024, DOI:10.32604/icces.2024.012770

Abstract Revealing the origin of the mechanical properties of metallic glasses (MG) is a long-standing problem. MGs respond to the external strain with the activation of collective atomic motion, but the triggers of such motions are not revealed yet, in contrast to the well-defined dislocations in crystals. In the present study we show that the change of atomic Von Mises stress is one of the key local parameters to indicate the stress response to a shear strain in metallic glass. Four random Cu50%Zr50% structures were prepared in first-principles molecular dynamics cooling process. Structures were then put… More >

Muhammad Abdullah Khan¹, Muhammad Usman², Yuhong Zhao^1,3,4,*

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 >

Danial Jahed Armaghani^1,*, Ahmed Salih Mohammed^2,3, 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 >

Amilal Bhat

Canadian Journal of Urology, Vol.30, No.2, pp. 11462-11462, 2023

Abstract This article has no abstract. More >

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 >

Wei Hu^1,2, Fengjuan Si³, Hongtao Xue¹, Wensheng Li¹, Jun Hu⁴, Fuling Tang^1,*

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

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 Sn_1−xEr_xO₂ (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 Sn_1−xEr_xO₂ (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 >

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 >

Ahad Alloqmani¹, Omimah Alsaedi¹, Nadia Bahatheg¹, Reem Alnanih^1,*, Lamiaa Elrefaei^1,2

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 >

Jialin Ma^1,*, Zhaojun Wang², Hai Guo³, Qian Xie^1,4, 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 >