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In recent years, intermetallic reinforced composites (IRCs) have garnered significant attention due to their exceptional mechanical properties, corrosion resistance, and high-temperature stability, making them ideal candidates for both structural and functional applications. This research paper presents an advanced modelling and simulation approach to understand the microstructural evolution, mechanical behaviour, and functional properties of IRCs. Utilizing a combination of finite element analysis (FEA), molecular dynamics (MD), and phase-field modelling, the study offers a comprehensive insight into the intricate interplay between the matrix, reinforcement, and the resultant composite behaviour. The developed models accurately predict the stress-strain response, thermal conductivity, and fatigue life of the IRCs under various loading and environmental conditions. Furthermore, the simulations provide a detailed understanding of the mechanisms governing crack initiation and propagation in these composites. The outcomes of this research not only pave the way for optimizing the design and processing parameters of IRCs but also underscore the potential of these materials in aerospace, automotive, and energy sectors. The findings presented herein serve as a foundational reference for researchers and engineers aiming to harness the full potential of intermetallic reinforced composites in advanced engineering applications.