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 >

Dugang Guo^{1, *}

FDMP-Fluid Dynamics & Materials Processing, Vol.15, No.4, pp. 419-430, 2019, DOI:10.32604/fdmp.2019.07831

Abstract The role of different grid search computer algorithms for the determination of the thermodynamic properties of water and steam in the p-T and P-S planes has been investigated via experimental and analytical methods. The results show that the spline interpolation grid search algorithm and the power grid search algorithm are more efficient, stable and clear than other algorithms. More >

Ching-Feng Yu¹, Wen-Hwa Chen^1,2, Kun-Ling Chen¹, Hsien-Chie Cheng^2,3

CMC-Computers, Materials & Continua, Vol.36, No.2, pp. 203-229, 2013, DOI:10.3970/cmc.2013.036.203

Abstract The investigation assesses the thermal-mechanical and thermodynamic properties of various graphene sheets using a modified Nosé-Hoover (NH) thermostat method incorporated with molecular dynamics (MD) simulation. The investigation begins with an exploration of their thermal-mechanical properties at atmospheric pressure, including Young’s modulus, shear modulus, Poisson’s ratio, specific heats and linear and volumetric coefficients of thermal expansion (CTE). Two definitions of the line change ratio (ΔL/L) are utilized to determine the linear CTE of graphene sheets, and the calculations are compared with each other and data in the literature. To estimate the volumetric CTE values, the Connolly… More >