Abstract
The mechanical behavior of SiC/Al nanocomposites reinforced with inorganic fullerene IF-${\mathrm{WS}}_{2}$ nanoparticles has been studied under static loading conditions. Density functional theory calculations, in conjunction with the finite strain method, have been undertaken to provide a complete set of elastic constants for defining the transversely isotropic behavior of a layered structure of ${\mathrm{WS}}_{2}$ bulk. The values of the elastic stiffness coefficients predicted by density functional theory are summarized in Voigt notation as ${C}_{11}$ = 236 GPa, ${C}_{12}$ = 53 GPa, ${C}_{13}=92$ GPa, ${C}_{33}$ = 42 GPa, and ${C}_{44}$ = 12 GPa. These results are used within the finite element method to yield a computationally efficient model that links static properties of inorganic fullerenes at the atomistic level with the aggregate behavior of the entire nanocomposite described as a continuous medium. The latter involves a finite element model of a unit cell of the nanocomposite, represented as an intersecting simple cubic structure. The resulting elastic properties, which have cubic symmetry, are then used in conjunction with the Voigt-Reuss-Hill model to obtain properties of the isotropic aggregate. The resulting computed Young's modulus, Poisson's ratio, and shear modulus of the SiC/Al nanocomposite reinforced with WS2 nanoparticles are in a good agreement with analytical predictions.
Highlights
Lightweight high performance ceramic/metal composites have recently attracted intense academic and industrial interest due to their high strength, ductility, and hardness, as well as the ability to withstand severe shock loadings.1 Rapid development of these composites, focused mainly on inclusion of ceramic nanoparticles such as B4C, SiC, TiB2, and Al2O3, offers a great potential for utilization in many critical protective applications.2,3 It has been confirmed both experimentally4 and theoretically5 that these composite materials can exhibit much higher strength and hardness than their parental bulk counterparts, under general ambient conditions and under high shock loadings
The mechanical behavior of SiC/Al nanocomposites reinforced with inorganic fullerene inorganic fullerene-like (IF)-WS2 nanoparticles has been studied under static loading conditions
These results are used within the finite element method to yield a computationally efficient model that links static properties of inorganic fullerenes at the atomistic level with the aggregate behavior of the entire nanocomposite described as a continuous medium
Summary
Lightweight high performance ceramic/metal composites have recently attracted intense academic and industrial interest due to their high strength, ductility, and hardness, as well as the ability to withstand severe shock loadings. Rapid development of these composites, focused mainly on inclusion of ceramic nanoparticles such as B4C, SiC, TiB2, and Al2O3, offers a great potential for utilization in many critical protective applications. It has been confirmed both experimentally and theoretically that these composite materials can exhibit much higher strength and hardness than their parental bulk counterparts, under general ambient conditions and under high shock loadings. Lightweight high performance ceramic/metal composites have recently attracted intense academic and industrial interest due to their high strength, ductility, and hardness, as well as the ability to withstand severe shock loadings.1 Rapid development of these composites, focused mainly on inclusion of ceramic nanoparticles such as B4C, SiC, TiB2, and Al2O3, offers a great potential for utilization in many critical protective applications.. The methodology employs a sequential multiscale modelling approach (as classified by, for example, Lu and Kaxiras13) referred to as hierarchical multiscale modeling that combines atomic level investigation of the elastic properties of the WS2 bulk material with the continuum level study of the aggregate behavior of an example SiC/Al nanocomposite impregnated with IF-WS2 nanoparticles.
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