Computational Materials Engineering (CME) is a high technological approach used to design and develop new materials including the physical, thermal and mechanical properties by combining materials models at multiple techniques. With the recent advances in technology, the importance of microstructural design in CME environments and the contribution that such an approach can make in the estimation of material properties in simulations are frequently discussed in scientific, academic, and industrial platforms. Determination of the raw material characteristics that can be modeled in a virtual environment at an atomic scale by means of simulation programs plays a big role in combining experimental and virtual worlds and creating digital twins of the production chain and the products. In this study, a new generation, alternative and effective approach that could be used to the development of Al-Si based wheel casting alloys is proposed. This approach is based on the procedure of optimizing the physical and thermodynamic alloy properties developed in a computer environment with the CME technique before the casting phase. This article demonstrates the applicability of this approach in alloy development studies to produce Al-Si alloy wheels using the low pressure die casting (LPDC) method. With this study, an alternative and economical way is presented to the alloy development studies by trial and error in the aluminum casting industry. In other respects, since the study is directly related to the automotive industry, the reduction in fuel consumption in vehicles is an expected effect, as the new alloy aims to reduce the weight of the wheels. In addition to conserving energy, reducing carbon emissions also highlights the environmental aspects of this study.
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