Coating Materials: Computational Aspects, Applications and Challenges (Materials Horizons: From Nature to Nanomaterials)

Contents
1 Introduction to Coatings: Types and Their Synthesis
	1 Introduction
	2 Self-cleaning Coatings
	3 Anti-corrosion Coatings
	4 Anti-viral Coatings
	5 Fire-Retardant Coatings
	6 Summary and Conclusion
	References
2 Coatings: Types and Synthesis Techniques
	1 Introduction
		1.1 Types of Coatings
		1.2 Different Coating Syntheses and Deposition Methods
	References
3 Modern Coating Processes and Technologies
	1 Introduction
	2 Types of Coatings Process
		2.1 Physical Vapor Deposition (PVD) Coating
		2.2 Chemical Vapor Deposition (CVD)
		2.3 Confined-Plume Chemical Deposition Technique
		2.4 Dip Coating
		2.5 Decorative and Barrier Coatings
		2.6 Cathodic Arc Plasma Deposition (CAPD)
		2.7 Spin Coating Method
		2.8 Plasma Electrolytic Oxidation (PEO) Process
		2.9 Micro-arc Oxidation (MAO) Coating
	3 Summary and Conclusions
	References
4 Applications of Coating Materials: A Critical Overview
	1 Introduction
	2 Types of Coating Materials Used and Their Applications
		2.1 Polyurethane Coatings
		2.2 Epoxy Coatings
		2.3 Esterified Solution Epoxy Coatings
		2.4 Non-esterified Solution Epoxy Coatings
		2.5 100% Solid Epoxy Coatings
		2.6 Phenoxy Coatings
		2.7 Acrylics Coatings
		2.8 Vinyl Ether Coatings
		2.9 Polyester Coatings
		2.10 Polyvinyl Chloride (PVC) Coatings
		2.11 Polyvinyl Acetate (PVA) Coatings
		2.12 Polyimide Coatings
		2.13 Perylene Coatings
	3 Types of Coating Materials Used and Their Properties and Applications
	4 Conclusion
	References
5 Basics of Density Functional Theory, Molecular Dynamics, and Monte Carlo Simulation Techniques in Materials Science
	1 Introduction
	2 Density Functional Theory
	3 Molecular Dynamics Simulations
		3.1 Interatomic Potential for Molecular Dynamics Simulations
		3.2 Ensembles Used in Molecular Dynamics Simulations
	4 Monte Carlo Simulations
	5 Hybrid Monte Carlo/Molecular Dynamics Simulations
	6 Summary
	References
6 Molecular Dynamics Simulations in Coatings
	1 Introduction
	2 Types of Coatings
		2.1 Graphene
		2.2 Polymers
		2.3 Anti-stain/Hydrophobic
		2.4 Electroosmotic Flow
	References
7 Molecular Dynamics Based Simulations as an Effective Tool for Studying Coating Materials on Metals
	1 Introduction
	2 Simulation Methodology
		2.1 Molecular Dynamics Simulations
		2.2 Force Fields
		2.3 Non-metal Coatings on Metal Surfaces
		2.4 Metal Coatings on Metal Surfaces
		2.5 Temporary Corrosion Inhibitors on Metal Surfaces
		2.6 Coating Deposition on Nanostructures
	3 Conclusion
	References
8 Computational Aspects: Self-clean Coatings, Plastics and Polymers in Coatings
	1 Introduction
		1.1 Self-clean Coatings
		1.2 Fire-Retardant Coatings
		1.3 Anti-corrosion Coatings
		1.4 Anti-icing Coatings
		1.5 Anti-viral Coatings
	2 Summary and Conclusion
	References
9 Continuum Mechanics-Based Simulations in Coatings
	1 Introduction
	2 The Finite Element Method (FEM): A Primer
	3 Mathematical Foundations of the FEM
	4 Stress–Strain Relations
	5 Special Cases
	6 Methods to Derive the Stiffness Matrix
	7 Von Mises Stress
	8 Shape Functions and Local Coordinates
	9 Application of the FEM to T/EBCs
	10 Summary
	References
10 Recent Progress in Computational Techniques in Various Coating Materials
	1 Introduction
	2 Computational Techniques in Coating Materials
		2.1 Molecular Dynamics (MD) Simulation
		2.2 Quantum Mechanics (QM) Simulation
		2.3 Monte Carlo (MC) Simulation
		2.4 Coarse-Grained (CG) Simulation
	3 Discussion
	4 Polymers
	5 Steel
	6 Conclusion
	References
11 Future and Challenges of Coating Materials
	1 Introduction
	2 Metal Coating
		2.1 Challenges
	3 Polymers Coating
		3.1 Challenges
	4 Plastics Coatings
		4.1 Challenges
	5 Ceramics Coatings
		5.1 Challenges
	6 Composite Coatings
		6.1 Challenges
	7 Smart Surface Coatings
	8 Organic Graded Coatings
	9 Nanostructure-Tailored Graded Coatings
		9.1 Challenges
	10 Trending Materials
	11 Computational Coatings
		11.1 Limitations of Computational Coatings
	12 Conclusion
	References
12 Emerging 2D Materials for Printing and Coating
	1 Introduction
	2 2D Materials
	3 Printing
		3.1 Ink Formulation
		3.2 Inkjet Printing
		3.3 Screen Printing
		3.4 Gravure and Flexographic Printing of 2D Materials
	4 Applications of Printable 2D Materials
		4.1 Conductive Inks
		4.2 Printed Optoelectronics and Photonics
		4.3 Printed Sensors
		4.4 Printed Energy Storage
	5 Summary and Future Perspective
	References
13 Coating Methods for Hydroxyapatite—A Bioceramic Material
	1 Introduction
	2 Hydroxyapatite Based Coating
	3 Thin Film Deposition Techniques
		3.1 Deposition of HAP by Chemical Method
	4 Commercial Techniques for HAP Coating on Metallic Implants
		4.1 Sol–Gel Coating Method
		4.2 Microarc Oxidation Coating
		4.3 Pulsed Laser Deposition Method
		4.4 Sputter Coating
		4.5 Dip Coating
		4.6 Electrophoretic Deposition Method
		4.7 Thermal Spray Coating
		4.8 Biomimetic Coating
	5 Advantages of HAP Coating on Biomedical Applications
	6 Conclusions
	References
14 Superhydrophobic Coating: Stability and Potential Applications
	1 Introduction
	2 Rudiments of Super Hydrophobicity
	3 Applications of Superhydrophobic Coatings
	4 Agricultural and Food Engineering
	5 Anti-biofouling and Anti-bacterial
	6 Anti-icing
	7 Fabrics and Textiles
	8 Stability of Superhydrophobic Coating
	9 Conclusion
	References
15 Study of New Generation Thermal Barrier Coatings for High-Temperature Applications
	1 Introduction
	2 Structure of Thermal Barrier Coatings
	3 Selection of Top Coat Material
	4 Fabrication of Thermal Barrier Coatings
	5 Limitations of Conventional TBCs
	6 Modes of TBCS Failures
	7 Thermal Fatigue Failure
	8 New Ceramics (Pyrochlore Oxides) Materials in TBCs
	9 Other Oxide Materials for TBCs
	10 Challenges and Upcoming Insights
	11 Conclusions
	References
16 A Review on Nickel Composite Coatings Deposited by Jet Electrodeposition
	1 Introduction
	2 Electrodeposition Process
	3 Jet Electrodeposition Process
		3.1 Advantages and Challenges of Jet Electrodeposition
		3.2 Friction-Assisted Jet Electrodeposition
		3.3 Pulse-Assisted Jet Electrodeposition
		3.4 Ultrasonic-Assisted Jet Electrodeposition
		3.5 Magnetic-Assisted Jet Electrodeposition
	4 Effect of Parameters on the Properties of Coatings Obtained by Jet Electrodeposition
		4.1 Coating Composition, Microstructure, and Surface Morphology
		4.2 Microhardness and Tribological Properties
		4.3 Corrosion Properties
	5 Conclusions and Future Scope
	References
17 Microstructure, Microhardness and Tribological Properties of Electrodeposited Ni–Co Based Particle Reinforced Composite Coatings
	1 Introduction
		1.1 Thin Film Deposition
		1.2 Sputtering
		1.3 Thermal Spraying
		1.4 Ion Implantation
		1.5 Diffusion Coating
		1.6 Electro-less Plating
		1.7 Electroplating or Electrodeposition
	2 Impact of Ni–Co Electrodeposition on Environment and Health
	3 Electrodeposition Process
		3.1 Electrodeposition of Nickel
		3.2 Electro-codeposition Mechanism of Ni–Co
		3.3 Electrodeposition of Ni–Co Coatings Reinforced with Ceramic Particles
	4 Various Baths for Electrodeposition of Nickel Based Coatings
		4.1 Sulfate and Chloride Bath
		4.2 Sulfamate Bath
		4.3 Fluoroborate Bath
		4.4 Acetate Bath
		4.5 Ionic Baths
		4.6 Additives Used in Baths
	5 Electrodeposition Process Parameters
	6 Current Control in Electrodeposition Process
		6.1 Direct Current (DC) Method
		6.2 Pulsed Current (PC) Method
		6.3 Pulsed Reversed Current (PRC) Method
	7 Microstructure, Morphology and Properties of Ni–Co Based Reinforced Coatings
		7.1 Effect of Process Parameters on Particle Incorporation, Morphology and Microstructure of Coatings
		7.2 Effect of Various Parameters on Microhardness and Tribological Properties
		7.3 Corrosion Properties
	8 Conclusion and Future Scope
	References
18 A Mini Review on Active Heat Augmentation Approaches Used for Solar Thermal Collectors
	1 Introduction
	2 Literature Review
	3 Results and Discussion
	4 Conclusions
	References
19 Hybrid Feature Selection Techniques to Improve the Accuracy of Rice Yield Prediction: A Machine Learning Approach
	1 Introduction
		1.1 Data Source
	2 Models and Methods
		2.1 Feature Selection and Evaluation
		2.2 Feature Shuffling
		2.3 Feature Performance
		2.4 Multiple Linear Regression Model
		2.5 Multiple Liner Model for Crop Yield Prediction
		2.6 Accuracy Metrics
	3 Results and Discussion
	4 Conclusions
	References