Computational methods can play a significant role in characterization of the carbon-based nanocomposites by providing simulation results. In this paper, we prepared a brief review of the mechanical properties of carbon nanotubes (CNTs), Graphene, and coiled carbon nanotube (CCNTs) reinforced nanocomposites. Varies simulation studies in mechanical properties of nanocomposites including represent...

Abstract Disordered solids are ubiquitous in engineering and everyday use. Although research has made considerable progress the last decades, our understanding of mechanics these materials is, at best, an embryonic state. Since nature disorder complicates realization physically meaningful continuum-mechanical models, particle-based molecular descriptions provide a powerful alternative. This pap...

human serum albumin (hsa) is the most abundant protein in the blood plasma. drug binding to hsa is crucial to study the absorption, distribution, metabolism, efficiency and bioavailability of drug molecules. in this study, isothermal titration calorimetry and molecular dynamics simulation of hsa and its complex with indometacin (im) were performed to investigate thermodynamics parameters and th...