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Metal matrix composites (MMCs) combine metal with ceramic reinforcement, offering high strength, stiffness, corrosion resistance, and low weight for diverse applications. Al-SiC, a common MMC, consists of an aluminum matrix reinforced with silicon carbide, making it ideal for the aerospace and automotive industries. In this work, molecular dynamics simulations are performed to investigate the mechanical properties of the complex-shaped models of Al-SiC. Three different volume fractions of SiC particles, precisely 10%, 15%, and 25%, are investigated in a composite under uniaxial tensile loading. The tensile behavior of Al-SiC composites is evaluated under two loading directions, considering both cases with and without diffusion effects. The results show that diffusion increases the ultimate tensile strength of the Al-SiC composite, particularly for the 15% SiC volume fraction. Regarding the shape of the SiC particles considered in this research, the strength of the composite varies in different directions. Specifically, the ultimate strength of the Al-SiC composite with 25% SiC reached 11.29 GPa in one direction, and 6.63 GPa in another, demonstrating the material's anisotropic mechanical behavior when diffusion effects are considered. Young's modulus shows negligible change in the presence of diffusion. Furthermore, diffusion improves toughness in Al-SiC composites, resulting in higher values compared to those without diffusion, as evidenced by the 25% SiC volume fraction composite (2.086 GPa) versus 15% (0.863 GPa) and 10% (1.296 GPa) SiC volume fractions. [ABSTRACT FROM AUTHOR]

This study comprehensively investigates Al2O3′s mechanical properties, focusing on fracture toughness, surface energy, Young's modulus, and crack propagation. The density functional theory (DFT) is employed to model the vacancies in Al2O3, providing essential insights into this material's structural stability and defect formation. The DFT simulations reveal a deep understanding of vacancy-related properties and their impact on mechanical behavior. In conjunction with molecular dynamics (MD) simulations, the fracture toughness and crack propagation in Al2O3 are explored, offering valuable information on material strength and durability. The surface energy of Al2O3 is also assessed using DFT, shedding light on its interactions with the surrounding environment. The results of this investigation highlight the significant impact of oxygen vacancies on mechanical characteristics such as ultimate strength and fracture toughness, drawing comparisons with the effects observed in the presence of aluminum vacancies. Additionally, the research underscores the validation of fracture toughness outcomes derived from both DFT and MD simulations, which align well with findings from established experimental studies. Additionally, the research underscores the validation of fracture toughness outcomes derived from DFT and MD simulations, aligning well with findings from established experimental studies. The combination of DFT and MD simulations provides a robust framework for a comprehensive understanding of Al2O3′s mechanical properties, with implications for material science and engineering applications. [ABSTRACT FROM AUTHOR]

The equivalent characteristics of the materials' interfaces are known to impact the overall mechanical properties of ceramic–metal composites significantly. One technological method that has been suggested is raising the temperature of the liquid metal to improve the weak wettability of ceramic particles with liquid metals. Therefore, as the first step, it is necessary to produce the diffusion zone at the interface by heating the system and maintaining it at a preset temperature to develop the cohesive zone model of the interface using mode I and mode II fracture tests. This study uses the molecular dynamics method to study the interdiffusion at the interface of α-Al2O3/AlSi12. The hexagonal crystal structure of aluminum oxide with the Al- and O-terminated interfaces with AlSi12 are considered. A single diffusion couple is used for each system to determine the average main and cross ternary interdiffusion coefficients. In addition, the effect of temperature and the termination type on the interdiffusion coefficients is examined. The results demonstrate that the thickness of the interdiffusion zone is proportional to the annealing temperature and time, and Al- and O-terminated interfaces exhibit similar interdiffusion properties. [ABSTRACT FROM AUTHOR]

Numerical simulations of dynamic fracture behaviour of a double cantilever sandwich beam subjected to uneven bending moments in plane conditions are carried out using the dynamic finite element analyses with the ABAQUSTM code. The strain energy release rate was evaluated by means of the finite element model developed within the two-dimensional (2-D) linear elastodynamic theory. This demonstrates the capability and the reliability of the finite element modelling as an extremely useful numerical tool for solving dynamic fracture mechanics problems. Also, the dynamic behaviour of fracture parameters and interface crack progression is discussed.

The mechanical properties of the SiC/Al interface are crucial in estimating the overall strength of this ceramic-metal composite. The present work investigates the interdiffusion at the SiC/Al interface using molecular dynamics simulations. One cubic and one hexagonal SiC with a higher probability of orientations in contact with Al are examined as two samples of metal-matrix nanocomposites with whisker and particulate reinforcements. These reinforcements with the Si- and C-terminated surfaces of the SiC/Al interfaces are also studied. The average main and cross-interdiffusion coefficients are evaluated using a single diffusion couple for each system. The effect of temperature and annealing time are analysed on the self- and interdiffusion coefficients. It is found that the diffusion of Al in SiC is similar in cubic and hexagonal SiC and as expected, the interdiffusion coefficient increases as the temperature and annealing time increase. The model after diffusion can be used to evaluate the overall mechanical properties of the interface region in future studies. [ABSTRACT FROM AUTHOR]