This paper attempts to investigate the influence of the microstructure and mechanical property changes on sand casting and permanent die casting alloys by grain refinement, modification combined action of both (Al– 3Ti–1B + Al–10Sr) and without grain refinement and modification effect. The microstructures of the castings are studied by optical microscopes. The microstructure and mechanical prop...

Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used to provide the model with the potential energy used to drive dynamics. These methods, however, su...

In recent years the atomic force microscope (AFM) has evolved from a high resolution imaging tool to an enabling platform for physical studies at the nanoscale including quantitative mapping of mechanical characteristics of surfaces providing simultaneous topography and mechanical property maps across the length scales. In the work presented here peak force tapping AFM was utilized to elaborate...

The rational design of molecules with targeted quantum-mechanical (QM) properties requires an advanced understanding the structure-property/property-property relationships (SPR/PPR) that exist across chemical compound space (CCS). In this work, we...