Molecular Dynamics (MD) simulation is one of the most important computational techniques with broad applications in physics, chemistry, chemical engineering, materials design and biological science. Traditional computational chemistry refers to quantum calculations based on solving Schrodinger equations. Later developed Density Functional Theory (DFT) based on solving Kohn-Sham equations became...

A fully controllable nano-electro-mechanical device that can pump fluids at nanoscale is proposed. Using molecular dynamics simulations, we show that an applied electric field to an ion@C60 inside a water-filled carbon nanotube can pump water with excellent efficiency. The key physical mechanism governing the fluid pumping is the conversion of electrical energy into hydrodynamic flow with effic...

With the introduction of nanotechnology, energy industries envisage a potential revolutionary change in the field of exploration, development and production. Research by universities into such areas as nanosensors, nanomarkers and nanobots to provide valuable data regarding the reservoir are of great focus due to their large potential return on investment, but have yet to yield substantive prod...

This article focuses on turning superalloy Udimet 720, which is difficult to work with, using different coolant/lubricant methods. The study includes delivering Graphene and Multi-Walled Carbon Nanotubes nanopowders homogeneously dispersed in vegetable oil the cutting area with minimum quantity lubrication (MQL) method. Experiments at speeds feed rates were repeated four environments. Compared ...

Solar energy is a viable source to fulfill the demands of solar rich country such as Pakistan. Various types thermal technologies are being used around world, including flat plate, evacuated tube, and compound parabolic trough collectors. However, performance these collectors strongly influenced by nature work fluid. Utilization nanofluids with high conductivity very attractive way further enha...