Computational frameworks have been under specific attention within the last two decades.
Molecular Dynamics (MD) simulations, identical to the other computational approaches, try …

Background Today, thermal management in electronic and industrial equipment at nano and
micro scales is an important issue and has a significant impact on the price and reliability of …

After a thorough investigation, the Editor has concluded that the given results in this article
are inaccurate due to mistakes in the simulation models. In addition, 3 co-authors were …

In this computational work, we focus on spherical barrier effects on the thermal behaviour of
Ar/Cu nanofluid with molecular dynamics simulation. LAMMPS software is implemented in …

The thermal error of electric spindle is an important factor affecting the machining accuracy
of machine tools. To establish the thermal error prediction model, the thermal characteristics …

Reinforcing cement with nanoparticles is a way to reduce porosity and enhance the initial
strength of cement. In this work, the calcium phosphate cement is reinforced with …

Molecular dynamics (MD) simulations can provide detailed insights into complex molecular
systems, such as DNA, at high resolution in space and time. Using current computer …

Background and objective Human serum albumin (HSA) controls the flow of numerous
chemical structures and molecules in the cardiovascular system. So, thermal conductivity of …

In this study, molecular dynamics method is used to estimate the atomic manner that effect
on H 2 O/Cu Nanofluid behavior. The Copper Nanochannel with sphere barriers is …

Abstract Atomic interaction of Human Serum Albumin (HSA) protein and HIV virus is
important in medical sciences. In the present study, for the first time, Molecular Dynamics …