Chentong Zhao¹, Jiming Zhou^1,2,*, Xujiang Chao^1,3, Su Wang¹, Lehua Qi^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.141, No.3, pp. 2453-2469, 2024, DOI:10.32604/cmes.2024.052723 - 31 October 2024

Abstract The mechanical properties of graphene reinforced composites are often hampered by challenges related to the dispersion and aggregation of graphene within the matrix. This paper explores the mechanism of cooling rate, process temperature, and process pressure’s influence on the agglomeration behavior of graphene and the tensile response of composites from a computer simulation technology, namely molecular dynamics. Our findings reveal that the cooling rate exerts minimal influence on the tensile response of composites. Conversely, processing temperature significantly affects the degree of graphene aggregation, with higher temperatures leading to the formation of larger-sized graphene clusters. In More >

Juan Li¹, Tingting Xu^1,*, Yi Gu², Chuang Liu¹, Guiping Zhou², Guoliang Bian¹

Energy Engineering, Vol.121, No.10, pp. 2777-2795, 2024, DOI:10.32604/ee.2024.052331 - 11 September 2024

Abstract In fossil energy pollution is serious and the “double carbon” goal is being promoted, as a symbol of fresh energy in the electrical system, solar and wind power have an increasing installed capacity, only conventional units obviously can not solve the new energy as the main body of the scheduling problem. To enhance the system scheduling ability, based on the participation of thermal power units, incorporate the high energy-carrying load of electro-melting magnesium into the regulation object, and consider the effects on the wind unpredictability of the power. Firstly, the operating characteristics of high energy… More >

Yashan Feng¹, Yafang Tian¹, Yongxin Yang¹, Yufang Zhang¹, Haiwei Guo¹, Jing’an Li^2,*

CMC-Computers, Materials & Continua, Vol.79, No.1, pp. 263-278, 2024, DOI:10.32604/cmc.2024.047004 - 25 April 2024

Abstract Electroactive anticorrosion coatings are specialized surface treatments that prevent or minimize corrosion. The study employs strategic thermodynamic equilibrium calculations to pioneer a novel factor in corrosion protection. A first-time proposal, the total acidity (TA) potential of the hydrogen (pH) concept significantly shapes medical magnesium alloys. These coatings are meticulously designed for robust corrosion resistance, blending theoretical insights and practical applications to enhance our grasp of corrosion prevention mechanisms and establish a systematic approach to coating design. The groundbreaking significance of this study lies in its innovative integration of the TA/pH concept, which encompasses the TA/pH… More >

Louis F. Marie^*, Karina Sałek, Tadhg S. O’Donovan

Energy Engineering, Vol.120, No.10, pp. 2193-2209, 2023, DOI:10.32604/ee.2023.043075 - 28 September 2023

Abstract Composite thermochemical energy storage (TCES) represents an exciting field of thermal energy storage which could address the issue of seasonal variance in renewable energy supply. However, there are open questions about their performance and the root cause of some observed phenomena. Some researchers have observed the breakdown of particles in their production phase, and in their use. This study seeks to investigate the underlying cause of this breakdown. SEM and EDX analysis have been conducted on MgCl₂ impregnated 13X zeolite composites of differing diameters, as well as LiX zeolite. This was done in order to study… More > Graphic Abstract

Chuanlong Xu¹, Haidong Fan^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.3, pp. 1-1, 2023, DOI:10.32604/icces.2023.010110

Abstract Grain boundary (GB) is an important microstructure and plays a vital role in the mechanical properties of polycrystalline materials by GB migration and sliding. In this work, molecular dynamic (MD) simulations were performed to investigate the migration mechanisms of symmetric tilt grain boundaries (STGBs) in magnesium. A total of 15 STGBs with the rotation angle θ from 0° to 90° were studied under a pure shear loading. The results show that the GB migration mechanisms are significantly influenced by the GB structure. For small angle STGBs (θ<28°), the GB migration is mediated … More >

Mao Li¹, Xiaobao Tian¹, Wentao Jiang¹, Qingyuan Wang¹, Haidong Fan^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09981

Abstract Poor ductility heavily limits the industrial application of magnesium (Mg) alloys, and pyramidal dislocations are an important deformation mode for ductility enhancement. In this work, discrete dislocation dynamics (DDD) simulations were performed to study the mechanical behavior and dislocation evolution of Mg singlecrystals compressed along c-axis. Especially, basal-transition and cross-slip algorithms of pyramidal dislocations were proposed and introduced in the DDD method. Simulation results show that basaltransition is an important mechanism for the strong strain hardening observed during c-axis compression of Mg single-crystals. Since the basal-transition events are thermally activated, increasing temperature leads to a More >

Zikun Li¹, Jing Tang¹, Xiaobao Tian¹, Qingyuan Wang¹, Wentao Jiang¹, Haidong Fan^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.25, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09968

Abstract Magnesium is a lightweight structural metal but the industrial application is limited by its poor intrinsic ductility. Pyramidal dislocations are believed to be responsible for the ductility enhancement whereas the dislocation plasticity of magnesium was not well studied, especially the pyramidal dislocations. In this work, molecular dynamics simulations were performed to investigate the pyramidal disloation behaviors including the decomposition of pyramidal dislocations on both pyramidal-I and pyramidal-II planes and the interactions between themselves and other dislocations in Mg. The pyramidal-I dislocations are decomposed into and dislocations under shear stress at 0-400K, which all reside… More >

Mengqi Cong^*, Yang Zhang, Yunlong Zhang, Xiao Liu, Yalin Lu, Xiaoping Li

Journal of Renewable Materials, Vol.11, No.4, pp. 1977-1989, 2023, DOI:10.32604/jrm.2023.023849 - 01 December 2022

Abstract Magnesium alloy has been considered as one of the third-generation biomaterials for the regeneration and support of functional bone tissue. As a regeneration implant material with great potential applications, in-situ Mg₂Si phase reinforced Mg-6Zn cast alloy was comprehensively studied and expected to possess excellent mechanical properties via the refining and modifying of Mg₂Si reinforcements. The present study demonstrates that the primary and eutectic Mg₂Si phase can be greatly modified by the yttrium (Y) addition. The size of the primary Mg₂Si phases can be reduced to ~20 μm with an addition of 0.5 wt.% Y. This phenomenon is… More > Graphic Abstract

Ali N. A. Koam¹, Ali Ahmad^2,*, Muhammad Azeem³, Muhammad Kamran Siddiqui⁴

CMES-Computer Modeling in Engineering & Sciences, Vol.135, No.2, pp. 1131-1146, 2023, DOI:10.32604/cmes.2022.020884 - 27 October 2022

Abstract As an inorganic chemical, magnesium iodide has a significant crystalline structure. It is a complex and multi-functional substance that has the potential to be used in a wide range of medical advancements. Molecular graph theory, on the other hand, provides a sufficient and cost-effective method of investigating chemical structures and networks. M-polynomial is a relatively new method for studying chemical networks and structures in molecular graph theory. It displays numerical descriptors in algebraic form and highlights molecular features in the form of a polynomial function. We present a polynomials display of magnesium iodide structure and More >

XINTING ZHU^1,2,#, MENG YE^2,3,#, KELAN FANG¹, FANG LIU^1,2, JING HUI^1,2, MEICHEN LIU², XIAOFEI LI^1,2, RONG YAN^1,2,*, Yun Liu^1,2,4,*

BIOCELL, Vol.46, No.12, pp. 2595-2600, 2022, DOI:10.32604/biocell.2022.025468 - 10 August 2022

Abstract Cantharidin (CTD) is a bioactive ingredient isolated from Cantharis vesicatoria (blister beetles), which has potential therapeutic value as an anticancer agent. Magnesium Demethylcantharidate (MDC) is a recently developed derivative of Cantharidin (CTD), and previous studies have illustrated its excellent anticancer activity on HCC cells. However, the effect and mechanism of MDC remains unclear and need to be further studied. In particular, whether MDC can cause ER stress in HCC is still unknown. In this study, we demonstrated that endoplasmic reticulum stress (ERS)-related proteins were changed in SMMC-7721 and Bel-7402 cells after being exposed to MDC. Moreover, More >