Mechanical Properties of Graphene Networks under Compression: A Molecular Dynamics Simulation

Molecular dynamics simulation is used to study and compare the mechanical properties obtained from compression and tension numerical tests of multilayered graphene with an increased interlayer distance. The multilayer graphene with an interlayer distance two-times larger than in graphite is studied first under biaxial compression and then under uniaxial tension along three different axes. The mechanical properties, e.g., the tensile strength and ductility as well as the deformation characteristics due to graphene layer stacking, are studied. The results show that the mechanical properties along different directions are significantly distinguished. Two competitive mechanisms are found both for the compression and tension of multilayer graphene—the crumpling of graphene layers increases the stresses, while the sliding of graphene layers through the surface-to-surface connection lowers it. Multilayer graphene after biaxial compression can sustain high tensile stresses combined with high plasticity. The main outcome of the study of such complex architecture is an important step towards the design of advanced carbon nanomaterials with improved mechanical properties

Bonding of Dissimilar Metals in the Interlayer Region in Al-Based Composites: Molecular Dynamics

The aluminum–matrix composites possess are very important for future applications because they have unique mechanical properties. Here, molecular dynamics is used to analyze the bonding of dissimilar metals on the interface of Al/Mg, Al/Ti, and Al/Cu interfaces during deformation treatment–compression combined with shear at room temperature. The terminal-mechanical treatment used in this simulation is a variant of the experimental technique applied to fabricate Al/Metal composites. It is found that there is a critical value of compressive and shear strain required to obtain the strong mixed Al/Metal interface. The diffusion depth of atoms of both components is dependent on the applied strain: (i) linear relationship for Al/Mg; (ii) logarithmic relationship for Al/Ti and Al/Cu. The mechanical behavior under tension and fracture analysis of the obtained interfaces are discussed in terms of atomic-level structural features which allow an understanding of the interconnection between the mechanical behavior and structure mixture near the interface. One of the important criteria for atomic mixing is the symmetry of the interface. After atomic mixing, Al/Ti composite has the highest ultimate tensile strength, Al/Cu—the average, and Al/Mg—the lowest between the considered interfaces, while the fracture strain of Al/Mg and Al/Ti composites are very close and higher than for Al/Cu. The obtained results are significant for the development of fabrication of Al/Metal interface by high-pressure torsion in practice

Bonding of Dissimilar Metals in the Interlayer Region in Al-Based Composites: Molecular Dynamics

The aluminum–matrix composites possess are very important for future applications because they have unique mechanical properties. Here, molecular dynamics is used to analyze the bonding of dissimilar metals on the interface of Al/Mg, Al/Ti, and Al/Cu interfaces during deformation treatment–compression combined with shear at room temperature. The terminal-mechanical treatment used in this simulation is a variant of the experimental technique applied to fabricate Al/Metal composites. It is found that there is a critical value of compressive and shear strain required to obtain the strong mixed Al/Metal interface. The diffusion depth of atoms of both components is dependent on the applied strain: (i) linear relationship for Al/Mg; (ii) logarithmic relationship for Al/Ti and Al/Cu. The mechanical behavior under tension and fracture analysis of the obtained interfaces are discussed in terms of atomic-level structural features which allow an understanding of the interconnection between the mechanical behavior and structure mixture near the interface. One of the important criteria for atomic mixing is the symmetry of the interface. After atomic mixing, Al/Ti composite has the highest ultimate tensile strength, Al/Cu—the average, and Al/Mg—the lowest between the considered interfaces, while the fracture strain of Al/Mg and Al/Ti composites are very close and higher than for Al/Cu. The obtained results are significant for the development of fabrication of Al/Metal interface by high-pressure torsion in practice