Abstract
Abstract Al-Cu Nanocomposites (NCs) are widely used in industrial applications for their high ductility, light weight, excellent thermal conductivity, and low-cost production. The mechanical properties and deformation mechanisms of Metal Matrix NCs (MMNCs) strongly depend on the matrix microstructure and the interface between the matrix and the second phase. The present study relies on Molecular Dynamics (MD) to investigate the effects of temperature on the mechanical properties and elastic and plastic behavior of the Al-Cu NC with single-crystal and polycrystalline matrices. The effects of heating on microstructural defects in the aluminum matrix and the Al/Cu interface were also addressed in the following. It was found that the density of defects such as dislocations and stacking fault areas are much higher in samples with polycrystalline matrices than those with single-crystal ones. Further, by triggering thermally activated mechanisms, increasing the temperature reduces the density of crystal defects. Heating also facilitates atomic migration and compromises the yield strength and the elastic modulus as a result of the increased energy of atoms in the grain boundaries and in the Al-Cu interface. The results showed that the flow stress decreased in all samples by increasing the temperature, making them less resistant to the plastic deformation.
Highlights
Al-Cu Nanocomposites (NCs) are widely used in industrial applications for their high ductility, light weight, excellent thermal conductivity, and low-cost production
The results showed that the flow stress decreased in all samples by increasing the temperature, making them less resistant to the plastic deformation
The present study aims to molecular dynamics simulation to probe temperature effects on the deformation mechanisms of the Al-Cu NCs in uniaxial tensile tests and evaluate its mechanical properties
Summary
Abstract: Al-Cu Nanocomposites (NCs) are widely used in industrial applications for their high ductility, light weight, excellent thermal conductivity, and low-cost production. Temperature as one of the most important factors affecting the deformation mechanisms through changes in the density of structural defects, is highly regarded by researchers In this regard, in order to investigate the effect of temperature on the deformation process of structural defects such as dislocations and stacking faults areas, according to previous studies of [40,41,42,43,44,45,46,47,48,49], the values of HCP atoms and dislocations for both nanocomposite samples with single crystal matrix and polycrystalline matrix were calculated and the results were compared and discussed. Based on the previous discussion, present MD simulation investigates the mechanical properties and deformation mechanisms of the Al-Cu NCs by uniaxial tensile tests for samples with single-crystal and polycrystalline matrices at ambient temperature. The fourth and final section summarizes the study results and presents the conclusions
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