Data-centric Process, Property, and Performance of Carbon Coatings

Data-centric manufacturing is advancing material design, synthesis, and performance assessment. This chapter highlights the role of data-driven approaches for developing material design of carbon coating, optimizing their manufacturing process, and estimating their key properties, such as mechanical properties, friction and wear, heat transfer, etc. Application of molecular dynamics and density functional theory for structural studies such as sp 3 arrangements, structural porosity, contact stresses, and transformation among sp 2 and sp 3 bonds under external loads and their impact on hardness, adhesion, friction, wear, and lubrication are presented. Likewise, computational fluid dynamics simulations are discussed to illustrate the surface heat transfer by boiling and condensation mechanisms and lubricant behaviors under thermal environments. This will advance the understanding of data-centric approaches for the design, manufacturing, and performance assessment of carbon coatings to develop next-generation carbon coatings for oncoming applications.