Nanoindentation on the bio-inspired high-performance nature composite by molecular dynamics method

Abstract

The determination of mechanical properties at the nanoscale is of such importance today that researchers pay special attention to it. Discovering the mechanical properties of biological composite structures in the nanoscale is much interesting today. Top neck mollusk shells are among biomaterial nanocomposites that their layered structures are composed of organic and inorganic materials. Since the nanoindentation process is known as an efficient method to determine mechanical properties like elastic modulus and hardness in small scale, therefore, due to some limitations of considering all peripheral parameters, particular simulations of temperature effect in the atomic scale are considerable. The present article provides a molecular dynamics approach for modeling the nanoindentation mechanism with three types of pyramidal, cubic, and spherical indenters at different temperatures of 173, 273, 300, and 373°K. Based on load-indentation depth diagrams and Oliver–Pharr equations, research findings indicate that the temperature has weakened the power between the biological atoms; this leads to reduced mechanical properties. An increase in temperature causes a reduction in elastic modulus and hardness. There was correspondence between the results obtained from the spherical indenter and experimental data. This study can be regarded as a novel benchmark study for further research studies which tend to consider structural responses of the various bio-inspired nanocomposites.

Localization of Zn2+ ions affects the structural folding and mechanics of Nereis virens Nvjp-1

“…Further, the absolute number of metal-coordination bonds follows the trend where B has the most coordination bonds, followed by A, then C. This, together with the SASA indicates that more metal-coordination bonds result in a more compact structure. We expect the compactness of the structure to be directly related to hardness in compression of the protein, and further simulations of compression tests such as nanoindentation on bio-nano composites [37][38][39] may also help reveal such connections.…”

Effects of Moisture and Synthesis-Derived Contaminants on the Mechanical Properties of Graphene Oxide: A Molecular Dynamics Investigation

“…Nanoindentation tests were simulated using a 1.5 nm radius carbon nanosphere with a diamond crystal structure resembling a Berkovich nanoindenter tip. − The computational box was enlarged in the direction normal to the GO sheets to place the carbon nanosphere, which was initially positioned 1 nm above the GO slab, see Figure c. In order to model a supported structure, the bottom GO sheet was fixed during the simulations.…”

Comparative Analysis Carried Out on Modern Indentation Techniques for the Measurement of Mechanical Properties: A Review

“…It has been seen that this dimensionless parameter is associated with the plastic deformation of a solid which implies larger the dimensionless parameter larger will be the plastic deformation of solid. Down below Figure 1 distinguishes the types of indenters [9] as: (a) Spherical (b) Conical (c) Square-pyramidal (vicker) & (d) Berkovich, respectively.…”