Molecular dynamics-based simulations have been extensively used to study the effects of
coatings on a variety of surfaces. These coatings have found utilization in improving upon …

This chapter discusses the use of molecular dynamics (MD) simulations in the development
and understanding of coatings and composite materials. MD simulations are a powerful tool …

A wide variety of organic and inorganic surface coatings have been discovered for corrosion
resistance of metals. The atomistic interaction between coating materials and metal surfaces …

Polymer Coatings; Technologies and Applications Page 1 309 16 Modeling and Simulation in
Polymer Coatings Akarsh Verma, Avinash Parashar, and Sandeep Kumar Singh Indian Institute …

Molecular dynamics studies with 3D model using spherical indenter and 2D plane strain
model using cylindrical indenters revealed that the optimum coating thickness maximizing …

Since the discovery of molecular dynamics (MD) simulations, their usage benefited a broad
range of researchers and scientists in applied physics, biomaterials, and material science …

The leaf of the lotus plant provides an elegant example of how a natural surface can remain
clean even in the dirtiest of environments. the leaf's fine-scale surface structure combined …

Computational techniques have widely been used as a powerful tool in different sectors of
polymeric coatings to predict several targeted and performance properties. Articles …

Atomistic-based simulations such as molecular mechanics (MM), molecular dynamics (MD),
and Monte Carlo-based methods (MC) have come into wide use for materials design. Using …

Paints and Coatings are ubiquitous with wide ranging applications in architectural and
construction, aerospace, automotive, electronic, food, and the pharmaceutical industries …