Atomistic Prediction of Nanomaterials: Introduction to Molecular Dynamics Simulation and a Case Study of Graphene Wettability.


In the past two decades, molecular dynamics (MD) simulation has been applied extensively as a powerful tool to quantitatively investigate the nanoscale phenomena in various research fields of fundamental sciences, medicine, and engineering [1], [2]. This successful development was mainly contributed to the rapidly growing computation power since the 1950s. One of the earliest works on MD simulation was reported by Alder et al. in 1957 on the dynamics of a hard sphere system consisting of several hundreds of particles [3]. The accurate prediction using MD when compared with experimental results in these early studies has led to the continuous development in the following decades. Since the 1980s, numerous MD applications have been evolved in the research on polymers, biopolymers, and proteins. In the mid- 1990s2000s, various literature related to MD can be found with applications including atomistic analysis of fracture mechanics and nanomaterials, e.g., carbon nanotubes and nanowires.

Did you like this research project?

To get this research project Guidelines, Training and Code... Click Here

PROJECT TITLE :Modelling, simulation, and verification for detailed short-circuit analysis of a 1 × 25 kV railway traction systemABSTRACT:This study presents a modelling and simulation method for the analysis of short-circuits
PROJECT TITLE :Oil-Whirl Fault Modeling, Simulation, and Detection in Sleeve Bearings of Squirrel Cage Induction MotorsABSTRACT:Bearings are divided into two main classes: rolling bearings and sleeve bearings. The sleeve bearings
PROJECT TITLE :Design, Simulation, and Fabrication of 4H-SiC Power SBDs With SIPOS FP StructureABSTRACT:We tend to introduce a field plate (FP) termination structure utilizing semi-insulating polycrystalline silicon (SIPOS) as
PROJECT TITLE : Video Dissemination over Hybrid Cellular and Ad Hoc Networks - 2014 ABSTRACT: We study the problem of disseminating videos to mobile users by using a hybrid cellular and ad hoc network. In particular, we formulate
PROJECT TITLE : Security Analysis of Handover Key Management in 4G LTESAE Networks - 2014 ABSTRACT: The goal of 3GPP Long Term Evolution/System Architecture Evolution (LTE/SAE) is to move mobile cellular wireless technology

Ready to Complete Your Academic MTech Project Work In Affordable Price ?

Project Enquiry