Materials Chemistry

8.

Emerging Frontiers in Materials Chemistry

8.1.

Computational Materials Science

8.1.1.

Density Functional Theory

8.1.1.1.

Principles of DFT

8.1.1.2.

Exchange-Correlation Functionals

8.1.1.3.

8.1.1.4.

Applications in Materials Design

8.1.1.5.

Limitations and Challenges

8.1.2.

Molecular Dynamics Simulations

8.1.2.1.

Classical Molecular Dynamics

8.1.2.2.

Ab Initio Molecular Dynamics

8.1.2.3.

8.1.2.4.

Simulation of Material Behavior

8.1.2.5.

Time and Length Scale Limitations

8.1.3.

Monte Carlo Methods

8.1.3.1.

Metropolis Algorithm

8.1.3.2.

Kinetic Monte Carlo

8.1.3.3.

Applications in Phase Transitions

8.1.4.

Materials Informatics

8.1.4.1.

Data-Driven Materials Discovery

8.1.4.2.

Machine Learning in Materials Science

8.1.4.3.

High-Throughput Screening

8.1.4.4.

Materials Databases

8.1.4.5.

Predictive Models

8.1.5.

Multiscale Modeling

8.1.5.1.

Bridging Length Scales

8.1.5.2.

Bridging Time Scales

8.1.5.3.

Concurrent Multiscale Methods

8.2.

Sustainable and Green Materials

8.2.1.

Biodegradable Polymers

8.2.1.1.

Polylactic Acid

8.2.1.2.

Polyhydroxyalkanoates

8.2.1.3.

Starch-Based Polymers

8.2.1.4.

Synthesis and Degradation

8.2.1.5.

Applications and Limitations

8.2.2.

Materials from Renewable Resources

8.2.2.1.

Bio-based Polymers

8.2.2.1.1.

Cellulose Derivatives

8.2.2.1.2.

Lignin-Based Materials

8.2.2.1.3.

Chitin and Chitosan

8.2.2.2.

Green Synthesis Methods

8.2.2.2.1.

Solvent-Free Synthesis

8.2.2.2.2.

Water-Based Synthesis

8.2.2.2.3.

Microwave-Assisted Synthesis

8.2.2.2.4.

Mechanochemical Synthesis

8.2.3.

Recycling and Circular Economy

8.2.3.1.

Polymer Recycling

8.2.3.1.1.

Mechanical Recycling

8.2.3.1.2.

Chemical Recycling

8.2.3.1.3.

Biological Recycling

8.2.3.2.

Metal Recycling

8.2.3.3.

Electronic Waste Recycling

8.2.3.4.

Life Cycle Assessment

8.2.4.

Green Chemistry Principles

8.2.4.1.

8.2.4.2.

Renewable Feedstocks

8.2.4.3.

8.2.4.4.

Safer Chemicals

8.3.

Advanced Nanomaterials

8.3.1.

Two-Dimensional Materials

8.3.1.1.

8.3.1.1.1.

Electronic Properties

8.3.1.1.2.

Mechanical Properties

8.3.1.1.3.

Thermal Properties

8.3.1.1.4.

Synthesis Methods

8.3.1.2.

Transition Metal Dichalcogenides

8.3.1.2.1.

Electronic Structure

8.3.1.2.2.

Optical Properties

8.3.1.2.3.

Catalytic Properties

8.3.1.2.4.

Device Applications

8.3.1.3.

8.3.1.3.1.

Synthesis from MAX Phases

8.3.1.3.2.

Surface Chemistry

8.3.1.3.3.

Energy Storage Applications

8.3.1.3.4.

Electromagnetic Interference Shielding

8.3.1.4.

Black Phosphorus

8.3.1.4.1.

Layer-Dependent Properties

8.3.1.4.2.

Stability Issues

8.3.2.

Quantum Materials

8.3.2.1.

Topological Insulators

8.3.2.1.1.

8.3.2.1.2.

8.3.2.1.3.

Applications in Spintronics

8.3.2.2.

8.3.2.2.1.

Size-Dependent Properties

8.3.2.2.2.

Synthesis Methods

8.3.2.2.3.

Applications in Displays and Solar Cells

8.3.2.3.

Quantum Wells and Wires

8.3.2.3.1.

Quantum Confinement

8.3.2.3.2.

Electronic and Optical Properties

8.3.3.

8.3.3.1.

Design Principles

8.3.3.1.1.

Negative Index Materials

8.3.3.1.2.

Electromagnetic Metamaterials

8.3.3.1.3.

Acoustic Metamaterials

8.3.3.2.

Fabrication Techniques

8.3.3.2.1.

Lithographic Methods

8.3.3.2.2.

8.3.3.3.

8.3.3.3.1.

Cloaking Devices

8.3.3.3.2.

Super-Resolution Imaging

8.3.3.3.3.

8.4.

Artificial Intelligence in Materials

8.4.1.

Machine Learning Algorithms

8.4.1.1.

Supervised Learning

8.4.1.2.

Unsupervised Learning

8.4.1.3.

Reinforcement Learning

8.4.2.

Materials Property Prediction

8.4.2.1.

Structure-Property Relationships

8.4.2.2.

8.4.2.3.

Optimization Algorithms

8.4.3.

Automated Synthesis

8.4.3.1.

Robotic Synthesis

8.4.3.2.

Closed-Loop Optimization

8.4.3.3.

Autonomous Laboratories

8.4.4.

Data Mining and Analysis

8.4.4.1.

Literature Mining

8.4.4.2.

Experimental Data Analysis

8.4.4.3.

Pattern Recognition

8.5.

Extreme Conditions Materials

8.5.1.

High-Pressure Materials

8.5.1.1.

Diamond Anvil Cell Studies

8.5.1.2.

Pressure-Induced Phase Transitions

8.5.1.3.

Superhard Materials

8.5.2.

High-Temperature Materials

8.5.2.1.

Refractory Materials

8.5.2.2.

Ultra-High Temperature Ceramics

8.5.2.3.

Thermal Barrier Coatings

8.5.3.

Materials for Space Applications

8.5.3.1.

Radiation Resistance

8.5.3.2.

Thermal Cycling

8.5.3.3.

Vacuum Compatibility

8.5.4.

Materials for Nuclear Applications

8.5.4.1.

Radiation Damage

8.5.4.2.

Neutron Irradiation Effects

8.5.4.3.

Nuclear Fuel Materials

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7. Applications of Advanced Materials

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1. Introduction to Materials Chemistry