![]() ![]() ![]() 1 Tarlochan stated that FGMs are the advanced engineering materials in the composites family comprising two or more constituent phases with continuous and smoothly varying compositions. reported that FGMs are inhomogeneous materials consisting of two or more distinct materials, designed to have continuously changing spatial compositions for particular applications. 1–3 The concept of FGMs was first initiated in Japan for use in high-temperature applications such as rocket engines, jet engines, and other aerospace applications which can carry high-temperature gradient, and reduce residual stress. This paper provides a comprehensive understanding of the mechanical properties of Ni–Al FGM alloys at the atomic level as a potential substitute for homogeneous alloys.įunctionally Graded Materials (FGMs) have great potential not only for application as heat-resistant materials but also as structural materials, biomaterials, semiconductors, and electrode materials. Parabolic grading demonstrates more resilience against vacancy defects, followed by linear and elliptical grading. Besides, it is also found that the UTS and YM of Ni–Al FGM alloys are very sensitive to Ni vacancies compared to Al vacancies. This investigation also suggests that the vacancy defects introduced via removing either Al or Ni atoms degrades the UTS and YM of FGM alloys remarkably. At extremely low temperatures, lattice mismatch is also observed to exert a significant impact on the failure characteristics of functional graded Ni–Al alloys. Moreover, it is also observed that the crystallographic direction for this alloy demonstrates the highest UTS and YM. Besides, at any temperature, the parabolically graded Ni–Al alloy shows the largest YM, followed by linear grading and elliptical grading. ![]() Furthermore, MD simulations suggest that elliptically graded Ni–Al alloy has the highest UTS at low temperature while at high temperature, the largest UTS is recorded for the parabolic grading. ![]() In general, it has been revealed that functional grading may reduce the ultimate tensile strength (UTS) of this homogeneous alloy but increase Young's modulus (YM). The grading profile, temperature, crystallographic direction, and concentration of vacancy defects have been varied and corresponding changes in the tensile properties are reported. In this article, Molecular Dynamics (MD) simulation is used to investigate the tensile mechanical properties of functional graded Ni–Al (Ni 3Al) alloy with Ni coating. ![]()
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